N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide

C15H26N4O — CID 84589773

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)N1CCC(C)CC(C)C1
InChIInChI=1S/C15H26N4O/c1-10-5-6-19(9-11(2)7-10)15(20)16-8-14-12(3)17-18-13(14)4/h10-11H,5-9H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyCOXGCKDHDNIPQL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.60
Rot. Bonds2

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide (PubChem CID 84589773) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide
PubChem CID84589773
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)N1CCC(C)CC(C)C1
InChIInChI=1S/C15H26N4O/c1-10-5-6-19(9-11(2)7-10)15(20)16-8-14-12(3)17-18-13(14)4/h10-11H,5-9H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyCOXGCKDHDNIPQL-UHFFFAOYSA-N
XLogP2.60
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75432430
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 126445479
(3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide
CID 97240756
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylcyclopentan-1-amine
CID 115653182
4-methyl-2-[[(3-methylpyrrolidine-1-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629705
3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide
CID 75387845
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 86285783
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide
CID 119069467
N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110927661
(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide
CID 126441433
5-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122985
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 92731401

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide (CID 84589773) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide is Cc1n[nH]c(C)c1CNC(=O)N1CCC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide?
The InChIKey is COXGCKDHDNIPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10-5-6-19(9-11(2)7-10)15(20)16-8-14-12(3)17-18-13(14)4/h10-11H,5-9H2,1-4H3,(H,16,20)(H,17,18).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide is sourced from PubChem (CID 84589773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).