N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide

C16H27N3O — CID 4772695

IUPACN-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H27N3O/c1-5-19-11-12(10-17-19)15(20)18-14-8-6-13(7-9-14)16(2,3)4/h10-11,13-14H,5-9H2,1-4H3,(H,18,20)
InChIKeyBXKNMQQPRAQUJP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.24
Rot. Bonds3

About N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide

N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide (PubChem CID 4772695) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide
PubChem CID4772695
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H27N3O/c1-5-19-11-12(10-17-19)15(20)18-14-8-6-13(7-9-14)16(2,3)4/h10-11,13-14H,5-9H2,1-4H3,(H,18,20)
InChIKeyBXKNMQQPRAQUJP-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 844723
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CID 3424399
N-(1-bicyclo[2.2.1]hept-2-ylethyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 5111812
N-cyclohexyl-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53576139
[(1R)-1-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 177377105
1-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 28742812
(1S,11R)-2-(1-methylpyrazole-4-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199290
5-[1-(1-Methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201713
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 25367596
1-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
CID 72019051
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide
CID 96522378
2-(1-methylcyclohexyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide (CID 4772695) is N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NC2CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is BXKNMQQPRAQUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-19-11-12(10-17-19)15(20)18-14-8-6-13(7-9-14)16(2,3)4/h10-11,13-14H,5-9H2,1-4H3,(H,18,20).
What are the key properties of N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide?
N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 4772695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).