5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine

C16H15ClN4O — CID 57025885

IUPAC5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine
SMILESCOc1cccc(Nc2n[nH]c(-c3cccc(Cl)c3)c2N)c1
InChIInChI=1S/C16H15ClN4O/c1-22-13-7-3-6-12(9-13)19-16-14(18)15(20-21-16)10-4-2-5-11(17)8-10/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyXBVXXQPLVXOZTP-UHFFFAOYSA-N
MW314.78 g/mol
LogP4.06
Rot. Bonds4

About 5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine

5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine (PubChem CID 57025885) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine
PubChem CID57025885
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine
SMILESCOc1cccc(Nc2n[nH]c(-c3cccc(Cl)c3)c2N)c1
InChIInChI=1S/C16H15ClN4O/c1-22-13-7-3-6-12(9-13)19-16-14(18)15(20-21-16)10-4-2-5-11(17)8-10/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyXBVXXQPLVXOZTP-UHFFFAOYSA-N
XLogP4.06
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-methoxy-1H-indazol-3-amine
CID 24991698
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
6-N-[(4-chlorophenyl)methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543926
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
6,7-dimethoxy-N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 10359698
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine
CID 157126465
5-(3-methoxyanilino)-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412255
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292
6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 22543827

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine?
The IUPAC name of 5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine (CID 57025885) is 5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine.
What is the SMILES notation for 5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine?
The canonical SMILES for 5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine is COc1cccc(Nc2n[nH]c(-c3cccc(Cl)c3)c2N)c1.
What is the InChIKey of 5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine?
The InChIKey is XBVXXQPLVXOZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-22-13-7-3-6-12(9-13)19-16-14(18)15(20-21-16)10-4-2-5-11(17)8-10/h2-9H,18H2,1H3,(H2,19,20,21).
What are the key properties of 5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine?
5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine has a molecular weight of 314.78 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine is sourced from PubChem (CID 57025885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).