N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane

C24H35F3N6O3 — CID 167521743

IUPACN-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
SMILESCC(C)C.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.N#CC(NC=O)c1cnn2c1CCC2
InChIInChI=1S/C11H15F3N2O2.C9H10N4O.C4H10/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;10-4-8(11-6-14)7-5-12-13-3-1-2-9(7)13;1-4(2)3/h6-7H,3-5H2,1-2H3,(H,15,18);5-6,8H,1-3H2,(H,11,14);4H,1-3H3
InChIKeyKVHZJIQGCPDVML-UHFFFAOYSA-N
MW512.58 g/mol
LogP2.58
Rot. Bonds5

About N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane

N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane (PubChem CID 167521743) has the molecular formula C24H35F3N6O3 and a molecular weight of 512.58 g/mol. Its IUPAC name is N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane.

Molecular Properties

Compound NameN-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
PubChem CID167521743
Molecular FormulaC24H35F3N6O3
Molecular Weight512.58 g/mol
Exact Mass512.27
IUPAC NameN-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
SMILESCC(C)C.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.N#CC(NC=O)c1cnn2c1CCC2
InChIInChI=1S/C11H15F3N2O2.C9H10N4O.C4H10/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;10-4-8(11-6-14)7-5-12-13-3-1-2-9(7)13;1-4(2)3/h6-7H,3-5H2,1-2H3,(H,15,18);5-6,8H,1-3H2,(H,11,14);4H,1-3H3
InChIKeyKVHZJIQGCPDVML-UHFFFAOYSA-N
XLogP2.58
TPSA120.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.58
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane with MolForge

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Related Compounds

N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521893
N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane
CID 167522065
N-[1-cyano-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522081
N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522177
(2S,5R)-N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167522634
(1S,2S)-N-[1-cyano-4-(1-cyclopropyl-5-methylpyrazol-4-yl)butyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-5,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167522899
(1S,2S)-N-[cyano(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl]-5,6,6-trimethyl-3-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]but-3-enoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167523385
(1R,2S,5S)-N-[1-cyano-2-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 169193433
(1R,2S,5S)-N-[1-cyano-2-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)ethyl]-3-[3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170165832
N-[1-cyano-2-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170167304
N-[1-cyano-2-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)ethyl]-3-[3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170167308
(1R,2S,5S)-N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 175899343

Frequently Asked Questions

What is the IUPAC name of N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
The IUPAC name of N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane (CID 167521743) is N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane.
What is the SMILES notation for N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
The canonical SMILES for N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane is CC(C)C.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.N#CC(NC=O)c1cnn2c1CCC2.
What is the InChIKey of N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
The InChIKey is KVHZJIQGCPDVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2.C9H10N4O.C4H10/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;10-4-8(11-6-14)7-5-12-13-3-1-2-9(7)13;1-4(2)3/h6-7H,3-5H2,1-2H3,(H,15,18);5-6,8H,1-3H2,(H,11,14);4H,1-3H3.
What are the key properties of N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane has a molecular weight of 512.58 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane is sourced from PubChem (CID 167521743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).