4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole

C17H22N2 — CID 91429173

IUPAC4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1-c1cccc(C2CCCCC2)c1
InChIInChI=1S/C17H22N2/c1-12-17(13(2)19-18-12)16-10-6-9-15(11-16)14-7-4-3-5-8-14/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyPKRYSTMAKLNIDY-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.74
Rot. Bonds2

About 4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole

4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole (PubChem CID 91429173) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole
PubChem CID91429173
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1-c1cccc(C2CCCCC2)c1
InChIInChI=1S/C17H22N2/c1-12-17(13(2)19-18-12)16-10-6-9-15(11-16)14-7-4-3-5-8-14/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyPKRYSTMAKLNIDY-UHFFFAOYSA-N
XLogP4.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole (CID 91429173) is 4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1-c1cccc(C2CCCCC2)c1.
What is the InChIKey of 4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole?
The InChIKey is PKRYSTMAKLNIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-17(13(2)19-18-12)16-10-6-9-15(11-16)14-7-4-3-5-8-14/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole?
4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole has a molecular weight of 254.38 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 91429173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).