N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine

C14H25N3 — CID 62731768

IUPACN-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnn(C2CCCCC2)c1
InChIInChI=1S/C14H25N3/c1-12(2)8-15-9-13-10-16-17(11-13)14-6-4-3-5-7-14/h10-12,14-15H,3-9H2,1-2H3
InChIKeyVDZSSPGXAYJGMQ-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.13
Rot. Bonds5

About N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine

N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 62731768) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID62731768
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnn(C2CCCCC2)c1
InChIInChI=1S/C14H25N3/c1-12(2)8-15-9-13-10-16-17(11-13)14-6-4-3-5-7-14/h10-12,14-15H,3-9H2,1-2H3
InChIKeyVDZSSPGXAYJGMQ-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine
CID 64776921
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
1-cyclohexyl-4-(2-methylpropyl)pyrazole
CID 155207502
1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
CID 61272922
N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82930487
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
CID 126966107
N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 122166265
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 122166276
1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine
CID 146145133
N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66440943
N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126963907

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine (CID 62731768) is N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnn(C2CCCCC2)c1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is VDZSSPGXAYJGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)8-15-9-13-10-16-17(11-13)14-6-4-3-5-7-14/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62731768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).