N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide

C12H20N4O — CID 112729713

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)N1CCCCCC1
InChIInChI=1S/C12H20N4O/c1-10-11(9-14-15-10)8-13-12(17)16-6-4-2-3-5-7-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15)
InChIKeyWSVZAQGQSSGAPT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.80
Rot. Bonds2

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide (PubChem CID 112729713) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide
PubChem CID112729713
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)N1CCCCCC1
InChIInChI=1S/C12H20N4O/c1-10-11(9-14-15-10)8-13-12(17)16-6-4-2-3-5-7-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15)
InChIKeyWSVZAQGQSSGAPT-UHFFFAOYSA-N
XLogP1.80
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-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

N-[(5-amino-1H-pyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 79529402
3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
CID 62210475
2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876974
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147373
3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62210474
N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766749
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 129474468
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 100686925
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 128992772
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 103849971

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide (CID 112729713) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide is Cc1[nH]ncc1CNC(=O)N1CCCCCC1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide?
The InChIKey is WSVZAQGQSSGAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-11(9-14-15-10)8-13-12(17)16-6-4-2-3-5-7-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 112729713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).