N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide

C14H24N4O — CID 39554190

IUPACN-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
SMILESC[C@H](CNC(=O)c1cnn(C)c1)N1CCCCCC1
InChIInChI=1S/C14H24N4O/c1-12(18-7-5-3-4-6-8-18)9-15-14(19)13-10-16-17(2)11-13/h10-12H,3-9H2,1-2H3,(H,15,19)/t12-/m1/s1
InChIKeyINIYSBPEEDSAMT-GFCCVEGCSA-N
MW264.37 g/mol
LogP1.41
Rot. Bonds4

About N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide

N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide (PubChem CID 39554190) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
PubChem CID39554190
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
SMILESC[C@H](CNC(=O)c1cnn(C)c1)N1CCCCCC1
InChIInChI=1S/C14H24N4O/c1-12(18-7-5-3-4-6-8-18)9-15-14(19)13-10-16-17(2)11-13/h10-12H,3-9H2,1-2H3,(H,15,19)/t12-/m1/s1
InChIKeyINIYSBPEEDSAMT-GFCCVEGCSA-N
XLogP1.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492256
6-methoxy-N-[(2S)-2-piperidin-1-ylpropyl]pyridine-3-carboxamide
CID 94633091
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
CID 43050213
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 103879149
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide (CID 39554190) is N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide is C[C@H](CNC(=O)c1cnn(C)c1)N1CCCCCC1.
What is the InChIKey of N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is INIYSBPEEDSAMT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(18-7-5-3-4-6-8-18)9-15-14(19)13-10-16-17(2)11-13/h10-12H,3-9H2,1-2H3,(H,15,19)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 39554190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).