5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C17H28N4O2 — CID 167893244

IUPAC5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2[nH]ncc2C(=O)N(C)C)CC1
InChIInChI=1S/C17H28N4O2/c1-4-5-6-12-7-9-13(10-8-12)16(22)19-15-14(11-18-20-15)17(23)21(2)3/h11-13H,4-10H2,1-3H3,(H2,18,19,20,22)
InChIKeyIJSSUTFLHKFRBO-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.05
Rot. Bonds6

About 5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 167893244) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID167893244
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2[nH]ncc2C(=O)N(C)C)CC1
InChIInChI=1S/C17H28N4O2/c1-4-5-6-12-7-9-13(10-8-12)16(22)19-15-14(11-18-20-15)17(23)21(2)3/h11-13H,4-10H2,1-3H3,(H2,18,19,20,22)
InChIKeyIJSSUTFLHKFRBO-UHFFFAOYSA-N
XLogP3.05
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide
CID 64547266
4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 108726497
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
N-(6-bromo-2-pyridinyl)-4-butylcyclohexane-1-carboxamide
CID 43520432
N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 110493118
4-butylcyclohexane-1-carbohydrazide
CID 2063620
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 91659324
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 167893244) is 5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide is CCCCC1CCC(C(=O)Nc2[nH]ncc2C(=O)N(C)C)CC1.
What is the InChIKey of 5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is IJSSUTFLHKFRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-5-6-12-7-9-13(10-8-12)16(22)19-15-14(11-18-20-15)17(23)21(2)3/h11-13H,4-10H2,1-3H3,(H2,18,19,20,22).
What are the key properties of 5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167893244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).