4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine

C17H21N3 — CID 2387116

IUPAC4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(C)c(C3=CCCCC3)c2N)cc1
InChIInChI=1S/C17H21N3/c1-12-8-10-15(11-9-12)20-17(18)16(13(2)19-20)14-6-4-3-5-7-14/h6,8-11H,3-5,7,18H2,1-2H3
InChIKeyHUBSBOVHUAFYGD-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.03
Rot. Bonds2

About 4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine

4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine (PubChem CID 2387116) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine
PubChem CID2387116
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(C)c(C3=CCCCC3)c2N)cc1
InChIInChI=1S/C17H21N3/c1-12-8-10-15(11-9-12)20-17(18)16(13(2)19-20)14-6-4-3-5-7-14/h6,8-11H,3-5,7,18H2,1-2H3
InChIKeyHUBSBOVHUAFYGD-UHFFFAOYSA-N
XLogP4.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine (CID 2387116) is 4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-n2nc(C)c(C3=CCCCC3)c2N)cc1.
What is the InChIKey of 4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is HUBSBOVHUAFYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-8-10-15(11-9-12)20-17(18)16(13(2)19-20)14-6-4-3-5-7-14/h6,8-11H,3-5,7,18H2,1-2H3.
What are the key properties of 4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine?
4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 267.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 2387116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).