1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

C16H25N5 — CID 106044924

IUPAC1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2ccn(C3CCCCC3)n2)cnn1C
InChIInChI=1S/C16H25N5/c1-13-14(11-18-20(13)2)10-17-12-15-8-9-21(19-15)16-6-4-3-5-7-16/h8-9,11,16-17H,3-7,10,12H2,1-2H3
InChIKeyXNKMZJSNBOVGRV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.72
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 106044924) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID106044924
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2ccn(C3CCCCC3)n2)cnn1C
InChIInChI=1S/C16H25N5/c1-13-14(11-18-20(13)2)10-17-12-15-8-9-21(19-15)16-6-4-3-5-7-16/h8-9,11,16-17H,3-7,10,12H2,1-2H3
InChIKeyXNKMZJSNBOVGRV-UHFFFAOYSA-N
XLogP2.72
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885808
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
1-(1-cyclopentylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64801052
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106373039
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
1-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416497
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64800285
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375
(4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 97104162

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (CID 106044924) is 1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is Cc1c(CNCc2ccn(C3CCCCC3)n2)cnn1C.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is XNKMZJSNBOVGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-13-14(11-18-20(13)2)10-17-12-15-8-9-21(19-15)16-6-4-3-5-7-16/h8-9,11,16-17H,3-7,10,12H2,1-2H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 106044924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).