N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide

C18H24N4O — CID 154865510

IUPACN-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide
SMILESCN(Cc1ccn(-c2ccccc2)n1)C(=O)C1CCCNCC1
InChIInChI=1S/C18H24N4O/c1-21(18(23)15-6-5-11-19-12-9-15)14-16-10-13-22(20-16)17-7-3-2-4-8-17/h2-4,7-8,10,13,15,19H,5-6,9,11-12,14H2,1H3
InChIKeyUBDSPEWHOBNQFR-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.22
Rot. Bonds4

About N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide

N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide (PubChem CID 154865510) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide
PubChem CID154865510
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide
SMILESCN(Cc1ccn(-c2ccccc2)n1)C(=O)C1CCCNCC1
InChIInChI=1S/C18H24N4O/c1-21(18(23)15-6-5-11-19-12-9-15)14-16-10-13-22(20-16)17-7-3-2-4-8-17/h2-4,7-8,10,13,15,19H,5-6,9,11-12,14H2,1H3
InChIKeyUBDSPEWHOBNQFR-UHFFFAOYSA-N
XLogP2.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide
CID 154880406
N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913002
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 63637300
4-fluoro-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
CID 154839781
N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 166252628
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119429116
1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116652931
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]azepane-4-carboxamide;hydrochloride
CID 154922617
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646
1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 62885515

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide?
The IUPAC name of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide (CID 154865510) is N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide?
The canonical SMILES for N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide is CN(Cc1ccn(-c2ccccc2)n1)C(=O)C1CCCNCC1.
What is the InChIKey of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide?
The InChIKey is UBDSPEWHOBNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21(18(23)15-6-5-11-19-12-9-15)14-16-10-13-22(20-16)17-7-3-2-4-8-17/h2-4,7-8,10,13,15,19H,5-6,9,11-12,14H2,1H3.
What are the key properties of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide?
N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide is sourced from PubChem (CID 154865510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).