N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide

C17H27N3O — CID 19617269

IUPACN,N-dicyclohexyl-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-19-16(12-13-18-19)17(21)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12-15H,2-11H2,1H3
InChIKeyGRWGBABUYDPBCJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.53
Rot. Bonds3

About N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide

N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide (PubChem CID 19617269) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-methylpyrazole-3-carboxamide
PubChem CID19617269
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN,N-dicyclohexyl-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-19-16(12-13-18-19)17(21)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12-15H,2-11H2,1H3
InChIKeyGRWGBABUYDPBCJ-UHFFFAOYSA-N
XLogP3.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
[4-(1-Adamantyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6465121
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
6-methyl-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 126694545
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
2-[2-(dimethylamino)ethyl]-9-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850435
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875994
[(2S,4S)-1-(2-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875996
[(2S,4S)-1-(1-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875997

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide (CID 19617269) is N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide?
The InChIKey is GRWGBABUYDPBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-16(12-13-18-19)17(21)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12-15H,2-11H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide?
N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19617269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).