1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine

C16H25N5 — CID 64779302

IUPAC1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nccn1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H25N5/c1-13(17)11-16-18-8-10-20(16)12-14-7-9-21(19-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12,17H2,1H3
InChIKeyICLUFPUHOKKGSY-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.52
Rot. Bonds5

About 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine

1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine (PubChem CID 64779302) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine
PubChem CID64779302
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nccn1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H25N5/c1-13(17)11-16-18-8-10-20(16)12-14-7-9-21(19-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12,17H2,1H3
InChIKeyICLUFPUHOKKGSY-UHFFFAOYSA-N
XLogP2.52
TPSA61.66 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine
CID 64779300
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine
CID 64780055
[1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-yl]hydrazine
CID 105199131
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66217471
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66406289
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine
CID 81190022
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine (CID 64779302) is 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine is CC(N)Cc1nccn1Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine?
The InChIKey is ICLUFPUHOKKGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-13(17)11-16-18-8-10-20(16)12-14-7-9-21(19-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12,17H2,1H3.
What are the key properties of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine?
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 64779302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).