N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide

C12H20N4O — CID 64562287

IUPACN-(2-pyrazol-1-ylethyl)azepane-2-carboxamide
SMILESO=C(NCCn1cccn1)C1CCCCCN1
InChIInChI=1S/C12H20N4O/c17-12(11-5-2-1-3-6-13-11)14-8-10-16-9-4-7-15-16/h4,7,9,11,13H,1-3,5-6,8,10H2,(H,14,17)
InChIKeyHHCIEWDFQVWVPM-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.53
Rot. Bonds4

About N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide

N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide (PubChem CID 64562287) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)azepane-2-carboxamide
PubChem CID64562287
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2-pyrazol-1-ylethyl)azepane-2-carboxamide
SMILESO=C(NCCn1cccn1)C1CCCCCN1
InChIInChI=1S/C12H20N4O/c17-12(11-5-2-1-3-6-13-11)14-8-10-16-9-4-7-15-16/h4,7,9,11,13H,1-3,5-6,8,10H2,(H,14,17)
InChIKeyHHCIEWDFQVWVPM-UHFFFAOYSA-N
XLogP0.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 61461180
cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491
2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978578
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688336
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
CID 64568957
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide
CID 61460772
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-2-carboxamide
CID 119850094
(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61154018
N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide?
The IUPAC name of N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide (CID 64562287) is N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide is O=C(NCCn1cccn1)C1CCCCCN1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide?
The InChIKey is HHCIEWDFQVWVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12(11-5-2-1-3-6-13-11)14-8-10-16-9-4-7-15-16/h4,7,9,11,13H,1-3,5-6,8,10H2,(H,14,17).
What are the key properties of N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide?
N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide is sourced from PubChem (CID 64562287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).