N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide

C14H23N3O — CID 166874447

IUPACN-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCC(C)(C)CC1
InChIInChI=1S/C14H23N3O/c1-14(2)7-4-11(5-8-14)10-15-13(18)12-6-9-16-17(12)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,15,18)
InChIKeyBWTFQJQOPPXZDO-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.37
Rot. Bonds3

About N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide

N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 166874447) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
PubChem CID166874447
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCC(C)(C)CC1
InChIInChI=1S/C14H23N3O/c1-14(2)7-4-11(5-8-14)10-15-13(18)12-6-9-16-17(12)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,15,18)
InChIKeyBWTFQJQOPPXZDO-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19475536
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CID 129006386
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 136524248
2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 131896188
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 111697762
N-[[(2R,3aR,4S,8aR)-1-acetyl-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 155900122
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid
CID 154913539
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide (CID 166874447) is N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCC1CCC(C)(C)CC1.
What is the InChIKey of N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is BWTFQJQOPPXZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2)7-4-11(5-8-14)10-15-13(18)12-6-9-16-17(12)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,15,18).
What are the key properties of N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide?
N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166874447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).