1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole

C11H18N2 — CID 170382090

IUPAC1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole
SMILESC[C@@H]1CCCC(c2cnn(C)c2)C1
InChIInChI=1S/C11H18N2/c1-9-4-3-5-10(6-9)11-7-12-13(2)8-11/h7-10H,3-6H2,1-2H3/t9-,10?/m1/s1
InChIKeyGNIQYLMWNYUWLI-YHMJZVADSA-N
MW178.28 g/mol
LogP2.71
Rot. Bonds1

About 1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole

1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole (PubChem CID 170382090) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole
PubChem CID170382090
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole
SMILESC[C@@H]1CCCC(c2cnn(C)c2)C1
InChIInChI=1S/C11H18N2/c1-9-4-3-5-10(6-9)11-7-12-13(2)8-11/h7-10H,3-6H2,1-2H3/t9-,10?/m1/s1
InChIKeyGNIQYLMWNYUWLI-YHMJZVADSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 167462179
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2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
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1-methyl-5-(1-methylpyrazol-4-yl)piperidin-3-amine
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2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
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CID 66875294
4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole
CID 91240817
N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine
CID 81032019
N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 128635077
N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935713
4-(4-bromooxan-2-yl)-1-methylpyrazole
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1-ethenyl-4-(3-methylcyclohexyl)benzene
CID 145419029

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole?
The IUPAC name of 1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole (CID 170382090) is 1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole?
The canonical SMILES for 1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole is C[C@@H]1CCCC(c2cnn(C)c2)C1.
What is the InChIKey of 1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole?
The InChIKey is GNIQYLMWNYUWLI-YHMJZVADSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-4-3-5-10(6-9)11-7-12-13(2)8-11/h7-10H,3-6H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of 1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole?
1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole has a molecular weight of 178.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole is sourced from PubChem (CID 170382090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).