1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine

C21H35N5 — CID 95851561

IUPAC1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCCn1nc(C)c(-c2cncn2CC2(N(C)C)CCC(C)CC2)c1C
InChIInChI=1S/C21H35N5/c1-7-12-26-18(4)20(17(3)23-26)19-13-22-15-25(19)14-21(24(5)6)10-8-16(2)9-11-21/h13,15-16H,7-12,14H2,1-6H3
InChIKeyRQUCAPWIUBAIDZ-UHFFFAOYSA-N
MW357.55 g/mol
LogP4.28
Rot. Bonds6

About 1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine

1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 95851561) has the molecular formula C21H35N5 and a molecular weight of 357.55 g/mol. Its IUPAC name is 1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID95851561
Molecular FormulaC21H35N5
Molecular Weight357.55 g/mol
Exact Mass357.29
IUPAC Name1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCCn1nc(C)c(-c2cncn2CC2(N(C)C)CCC(C)CC2)c1C
InChIInChI=1S/C21H35N5/c1-7-12-26-18(4)20(17(3)23-26)19-13-22-15-25(19)14-21(24(5)6)10-8-16(2)9-11-21/h13,15-16H,7-12,14H2,1-6H3
InChIKeyRQUCAPWIUBAIDZ-UHFFFAOYSA-N
XLogP4.28
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine (CID 95851561) is 1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine is CCCn1nc(C)c(-c2cncn2CC2(N(C)C)CCC(C)CC2)c1C.
What is the InChIKey of 1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is RQUCAPWIUBAIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5/c1-7-12-26-18(4)20(17(3)23-26)19-13-22-15-25(19)14-21(24(5)6)10-8-16(2)9-11-21/h13,15-16H,7-12,14H2,1-6H3.
What are the key properties of 1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 357.55 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]methyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 95851561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).