1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide

C19H26N4O — CID 72864530

IUPAC1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
SMILESCN1CCCCCC1C(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H26N4O/c1-22-13-7-3-6-10-18(22)19(24)20-12-11-16-14-21-23(15-16)17-8-4-2-5-9-17/h2,4-5,8-9,14-15,18H,3,6-7,10-13H2,1H3,(H,20,24)
InChIKeyPUBWQAGMRAHIAX-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.41
Rot. Bonds5

About 1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide

1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide (PubChem CID 72864530) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
PubChem CID72864530
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
SMILESCN1CCCCCC1C(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H26N4O/c1-22-13-7-3-6-10-18(22)19(24)20-12-11-16-14-21-23(15-16)17-8-4-2-5-9-17/h2,4-5,8-9,14-15,18H,3,6-7,10-13H2,1H3,(H,20,24)
InChIKeyPUBWQAGMRAHIAX-UHFFFAOYSA-N
XLogP2.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 45236878
N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 25460286
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
CID 72838302
2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 134000864
2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
CID 46984820
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 55922732
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide
CID 75129510
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide (CID 72864530) is 1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide is CN1CCCCCC1C(=O)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide?
The InChIKey is PUBWQAGMRAHIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-22-13-7-3-6-10-18(22)19(24)20-12-11-16-14-21-23(15-16)17-8-4-2-5-9-17/h2,4-5,8-9,14-15,18H,3,6-7,10-13H2,1H3,(H,20,24).
What are the key properties of 1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide?
1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide is sourced from PubChem (CID 72864530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).