N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine

C12H21N3 — CID 62604588

IUPACN-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine
SMILESCCNC1CCCCC1c1cnn(C)c1
InChIInChI=1S/C12H21N3/c1-3-13-12-7-5-4-6-11(12)10-8-14-15(2)9-10/h8-9,11-13H,3-7H2,1-2H3
InChIKeyQFCKFWGWKQITSD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.06
Rot. Bonds3

About N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine

N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine (PubChem CID 62604588) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine
PubChem CID62604588
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine
SMILESCCNC1CCCCC1c1cnn(C)c1
InChIInChI=1S/C12H21N3/c1-3-13-12-7-5-4-6-11(12)10-8-14-15(2)9-10/h8-9,11-13H,3-7H2,1-2H3
InChIKeyQFCKFWGWKQITSD-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1-methylpyrazol-4-yl)cycloheptan-1-amine
CID 62605145
N-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-amine
CID 64909644
2-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclohexan-1-amine
CID 114662862
2-(4-bromo-1-methylpyrazol-5-yl)-N-ethylcycloheptan-1-amine
CID 114662950
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine
CID 62604063
2-(1-ethylpyrazol-4-yl)-N-methylcyclopentan-1-amine
CID 62603685
N-ethyl-2-(5-methyl-3-pyridinyl)cyclopentan-1-amine
CID 115375195
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine
CID 114662955
N-ethyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 62604410
N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
CID 63511493
N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
CID 81034337

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine (CID 62604588) is N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine is CCNC1CCCCC1c1cnn(C)c1.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine?
The InChIKey is QFCKFWGWKQITSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-13-12-7-5-4-6-11(12)10-8-14-15(2)9-10/h8-9,11-13H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine?
N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 62604588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).