1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol

C25H38F5N9O4 — CID 169172674

IUPAC1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol
SMILESCCC(/C(=C/N)N(N)CC(F)(F)F)n1cc(NC)c(F)n1.Cc1nonc1C(=O)NC(C=O)C(C1CC1)C1CC1.OCF
InChIInChI=1S/C13H17N3O3.C11H18F4N6.CH3FO/c1-7-12(16-19-15-7)13(18)14-10(6-17)11(8-2-3-8)9-4-5-9;1-3-8(21-5-7(18-2)10(12)19-21)9(4-16)20(17)6-11(13,14)15;2-1-3/h6,8-11H,2-5H2,1H3,(H,14,18);4-5,8,18H,3,6,16-17H2,1-2H3;3H,1H2/b;9-4-;
InChIKeyVSYKNDUAHGZFDN-WTMTVGESSA-N
MW623.63 g/mol
LogP2.57
Rot. Bonds12

About 1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol

1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol (PubChem CID 169172674) has the molecular formula C25H38F5N9O4 and a molecular weight of 623.63 g/mol. Its IUPAC name is 1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol.

Molecular Properties

Compound Name1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol
PubChem CID169172674
Molecular FormulaC25H38F5N9O4
Molecular Weight623.63 g/mol
Exact Mass623.30
IUPAC Name1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol
SMILESCCC(/C(=C/N)N(N)CC(F)(F)F)n1cc(NC)c(F)n1.Cc1nonc1C(=O)NC(C=O)C(C1CC1)C1CC1.OCF
InChIInChI=1S/C13H17N3O3.C11H18F4N6.CH3FO/c1-7-12(16-19-15-7)13(18)14-10(6-17)11(8-2-3-8)9-4-5-9;1-3-8(21-5-7(18-2)10(12)19-21)9(4-16)20(17)6-11(13,14)15;2-1-3/h6,8-11H,2-5H2,1H3,(H,14,18);4-5,8,18H,3,6,16-17H2,1-2H3;3H,1H2/b;9-4-;
InChIKeyVSYKNDUAHGZFDN-WTMTVGESSA-N
XLogP2.57
TPSA190.45 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.63
LogP ≤ 52.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]-5-cyanopent-1-en-3-yl]-3-fluoropyrazol-4-yl]-2,2-dicyclopropylethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 169172753
N-[1-[1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]-5-cyanopent-1-en-3-yl]-3-fluoropyrazol-4-yl]-2,2-dicyclopropylethyl]-2-propan-2-ylpyrazole-3-carboxamide;formaldehyde;methanamine
CID 169172752
N-[(1S)-2-[[3-fluoro-1-[1-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]propyl]pyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 175926332
N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 168936048
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[3-fluoro-1-[2-methoxy-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 175926325
N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 175926360
N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 168936231
N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 168935844
N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 167245202
N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 164525042
N-[(S)-[7-[cyclopropyl-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 167245375
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol?
The IUPAC name of 1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol (CID 169172674) is 1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol.
What is the SMILES notation for 1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol?
The canonical SMILES for 1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol is CCC(/C(=C/N)N(N)CC(F)(F)F)n1cc(NC)c(F)n1.Cc1nonc1C(=O)NC(C=O)C(C1CC1)C1CC1.OCF.
What is the InChIKey of 1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol?
The InChIKey is VSYKNDUAHGZFDN-WTMTVGESSA-N. The full InChI is InChI=1S/C13H17N3O3.C11H18F4N6.CH3FO/c1-7-12(16-19-15-7)13(18)14-10(6-17)11(8-2-3-8)9-4-5-9;1-3-8(21-5-7(18-2)10(12)19-21)9(4-16)20(17)6-11(13,14)15;2-1-3/h6,8-11H,2-5H2,1H3,(H,14,18);4-5,8,18H,3,6,16-17H2,1-2H3;3H,1H2/b;9-4-;.
What are the key properties of 1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol?
1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol has a molecular weight of 623.63 g/mol, XLogP of 2.57, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol is sourced from PubChem (CID 169172674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).