1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

C16H24N4O — CID 106373039

IUPAC1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccn(C3CCCCC3)n2)oc1C
InChIInChI=1S/C16H24N4O/c1-12-13(2)21-16(18-12)11-17-10-14-8-9-20(19-14)15-6-4-3-5-7-15/h8-9,15,17H,3-7,10-11H2,1-2H3
InChIKeyMROHXMWSSDSBGV-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.28
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 106373039) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID106373039
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccn(C3CCCCC3)n2)oc1C
InChIInChI=1S/C16H24N4O/c1-12-13(2)21-16(18-12)11-17-10-14-8-9-20(19-14)15-6-4-3-5-7-15/h8-9,15,17H,3-7,10-11H2,1-2H3
InChIKeyMROHXMWSSDSBGV-UHFFFAOYSA-N
XLogP3.28
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.28
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-cyclohexyl-3-ethylpyrazole
CID 66014335
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107418007
1-(1-cyclopentylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64801052
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106416318
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375
1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 106044924
3-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66004626
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 106373039) is 1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1nc(CNCc2ccn(C3CCCCC3)n2)oc1C.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is MROHXMWSSDSBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-13(2)21-16(18-12)11-17-10-14-8-9-20(19-14)15-6-4-3-5-7-15/h8-9,15,17H,3-7,10-11H2,1-2H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 288.39 g/mol, XLogP of 3.28, 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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 106373039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).