1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine

C16H14ClN3O — CID 83203098

IUPAC1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine
SMILESCOc1ccccc1-c1nn(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C16H14ClN3O/c1-21-15-5-3-2-4-13(15)16-14(18)10-20(19-16)12-8-6-11(17)7-9-12/h2-10H,18H2,1H3
InChIKeyNXWFKEKHRVITGU-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.78
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine

1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine (PubChem CID 83203098) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine
PubChem CID83203098
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine
SMILESCOc1ccccc1-c1nn(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C16H14ClN3O/c1-21-15-5-3-2-4-13(15)16-14(18)10-20(19-16)12-8-6-11(17)7-9-12/h2-10H,18H2,1H3
InChIKeyNXWFKEKHRVITGU-UHFFFAOYSA-N
XLogP3.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine
CID 83217034
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine
CID 83205335
3-(3-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
CID 83204335
1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83216565
3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
CID 30032770
3-(2-bromophenyl)-1-(4-bromophenyl)pyrazol-4-amine
CID 83223081
3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine
CID 83216722
3-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyphenyl)pyrazol-4-amine
CID 83208395
1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
CID 83203377
2-(4-chlorophenyl)-4-(2-methoxyphenyl)-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667335
4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole
CID 19586867
1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
CID 83203236

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine (CID 83203098) is 1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine is COc1ccccc1-c1nn(-c2ccc(Cl)cc2)cc1N.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine?
The InChIKey is NXWFKEKHRVITGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-21-15-5-3-2-4-13(15)16-14(18)10-20(19-16)12-8-6-11(17)7-9-12/h2-10H,18H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine?
1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine has a molecular weight of 299.76 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine is sourced from PubChem (CID 83203098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).