1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine

C12H21N3 — CID 93112285

IUPAC1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine
SMILESCCn1cc(N[C@H]2CCCC[C@H]2C)cn1
InChIInChI=1S/C12H21N3/c1-3-15-9-11(8-13-15)14-12-7-5-4-6-10(12)2/h8-10,12,14H,3-7H2,1-2H3/t10-,12+/m1/s1
InChIKeyMRJVTWFCBUVPQS-PWSUYJOCSA-N
MW207.32 g/mol
LogP2.89
Rot. Bonds3

About 1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine

1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine (PubChem CID 93112285) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine
PubChem CID93112285
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine
SMILESCCn1cc(N[C@H]2CCCC[C@H]2C)cn1
InChIInChI=1S/C12H21N3/c1-3-15-9-11(8-13-15)14-12-7-5-4-6-10(12)2/h8-10,12,14H,3-7H2,1-2H3/t10-,12+/m1/s1
InChIKeyMRJVTWFCBUVPQS-PWSUYJOCSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine
CID 43776995
1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine
CID 60931524
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
N-(2-hydroxyethyl)-2-[4-[(2-methylcyclopentyl)amino]pyrazol-1-yl]acetamide
CID 110017367
4-[(1-ethylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 106593658
1-ethyl-N-(4-ethylcycloheptyl)pyrazol-4-amine
CID 65083881
N,1-diethylpyrazol-4-amine
CID 43543394
3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine
CID 104535082
N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine
CID 65089861
N-(2-adamantyl)-1-ethylpyrazol-4-amine
CID 43621713
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122166829
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967855

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine (CID 93112285) is 1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine is CCn1cc(N[C@H]2CCCC[C@H]2C)cn1.
What is the InChIKey of 1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine?
The InChIKey is MRJVTWFCBUVPQS-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-15-9-11(8-13-15)14-12-7-5-4-6-10(12)2/h8-10,12,14H,3-7H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of 1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine?
1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine is sourced from PubChem (CID 93112285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).