N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide

C17H24N4O3 — CID 94003270

IUPACN-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)CCNC(=O)c2ccoc2)n1
InChIInChI=1S/C17H24N4O3/c1-12(10-21-14(3)8-13(2)20-21)9-19-16(22)4-6-18-17(23)15-5-7-24-11-15/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,18,23)(H,19,22)/t12-/m1/s1
InChIKeyPCAMARXOIGKRBU-GFCCVEGCSA-N
MW332.40 g/mol
LogP1.67
Rot. Bonds8

About N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide

N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 94003270) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide
PubChem CID94003270
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)CCNC(=O)c2ccoc2)n1
InChIInChI=1S/C17H24N4O3/c1-12(10-21-14(3)8-13(2)20-21)9-19-16(22)4-6-18-17(23)15-5-7-24-11-15/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,18,23)(H,19,22)/t12-/m1/s1
InChIKeyPCAMARXOIGKRBU-GFCCVEGCSA-N
XLogP1.67
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide with MolForge

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Related Compounds

N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-methylfuran-3-carbohydrazide
CID 6885163
Furan-3-carbohydrazide, 2-methyl-N2-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylene-
CID 9593094
5-(3-Furoyl)-2-(4-thiomorpholinylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56890852
Furan-3-yl-[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143350
N-(1-{6-Methyl-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazine-2-carbonyl}piperidin-4-YL)furan-3-carboxamide
CID 91919211
Furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 97405332
N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide
CID 84600650
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 93243684
N-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-YL)-2-methyl-3-furamide
CID 832000
2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide
CID 35290079
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide
CID 35290303
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide
CID 35290347

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide (CID 94003270) is N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide is Cc1cc(C)n(C[C@H](C)CNC(=O)CCNC(=O)c2ccoc2)n1.
What is the InChIKey of N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is PCAMARXOIGKRBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(10-21-14(3)8-13(2)20-21)9-19-16(22)4-6-18-17(23)15-5-7-24-11-15/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,18,23)(H,19,22)/t12-/m1/s1.
What are the key properties of N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide?
N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 94003270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).