N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide

C11H19N5O — CID 123757004

IUPACN-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide
SMILESCNc1cc(C(=O)NC2CCCNCC2)[nH]n1
InChIInChI=1S/C11H19N5O/c1-12-10-7-9(15-16-10)11(17)14-8-3-2-5-13-6-4-8/h7-8,13H,2-6H2,1H3,(H,14,17)(H2,12,15,16)
InChIKeyMWDZMDJDOUZIDI-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.32
Rot. Bonds3

About N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide

N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide (PubChem CID 123757004) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide
PubChem CID123757004
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide
SMILESCNc1cc(C(=O)NC2CCCNCC2)[nH]n1
InChIInChI=1S/C11H19N5O/c1-12-10-7-9(15-16-10)11(17)14-8-3-2-5-13-6-4-8/h7-8,13H,2-6H2,1H3,(H,14,17)(H2,12,15,16)
InChIKeyMWDZMDJDOUZIDI-UHFFFAOYSA-N
XLogP0.32
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119424765
N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 62050322
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-(azepan-4-yl)-2,4-dimethylbenzamide
CID 105058394
3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
N-(azepan-4-yl)-2,6-dihydroxybenzamide
CID 107690520
N-[(3R)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 104645486
N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide
CID 105059420
N-(azepan-4-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 107172249
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
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CID 105059657

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide (CID 123757004) is N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide is CNc1cc(C(=O)NC2CCCNCC2)[nH]n1.
What is the InChIKey of N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is MWDZMDJDOUZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-12-10-7-9(15-16-10)11(17)14-8-3-2-5-13-6-4-8/h7-8,13H,2-6H2,1H3,(H,14,17)(H2,12,15,16).
What are the key properties of N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide?
N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-3-(methylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 123757004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).