4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine

C18H23N3 — CID 172875793

IUPAC4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1C1=CCC(C)(C)CC1
InChIInChI=1S/C18H23N3/c1-13-16(14-9-11-18(2,3)12-10-14)17(19)21(20-13)15-7-5-4-6-8-15/h4-9H,10-12,19H2,1-3H3
InChIKeyWCOSEFCICLMMAB-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.36
Rot. Bonds2

About 4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine

4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine (PubChem CID 172875793) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine
PubChem CID172875793
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1C1=CCC(C)(C)CC1
InChIInChI=1S/C18H23N3/c1-13-16(14-9-11-18(2,3)12-10-14)17(19)21(20-13)15-7-5-4-6-8-15/h4-9H,10-12,19H2,1-3H3
InChIKeyWCOSEFCICLMMAB-UHFFFAOYSA-N
XLogP4.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine
CID 2387116
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine
CID 105484824
4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine
CID 79855907
3-methyl-4-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1-phenylpyrazol-5-amine
CID 95230472
N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide
CID 50984671
[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 154905790
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
methyl (2S)-2-[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyran-3-yl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 172875799
7-bromo-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
CID 5121882
3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
CID 555805
3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine
CID 10149447
(Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile
CID 132966216

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine?
The IUPAC name of 4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine (CID 172875793) is 4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine is Cc1nn(-c2ccccc2)c(N)c1C1=CCC(C)(C)CC1.
What is the InChIKey of 4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine?
The InChIKey is WCOSEFCICLMMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-16(14-9-11-18(2,3)12-10-14)17(19)21(20-13)15-7-5-4-6-8-15/h4-9H,10-12,19H2,1-3H3.
What are the key properties of 4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine?
4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine has a molecular weight of 281.40 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 172875793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).