4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one

C20H19N5O — CID 13330527

IUPAC4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(-c2cc(N)n(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H19N5O/c1-14-19(20(26)25(23(14)2)16-11-7-4-8-12-16)17-13-18(21)24(22-17)15-9-5-3-6-10-15/h3-13H,21H2,1-2H3
InChIKeyCIDWIZOCLNZSCV-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.92
Rot. Bonds3

About 4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one

4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 13330527) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID13330527
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(-c2cc(N)n(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H19N5O/c1-14-19(20(26)25(23(14)2)16-11-7-4-8-12-16)17-13-18(21)24(22-17)15-9-5-3-6-10-15/h3-13H,21H2,1-2H3
InChIKeyCIDWIZOCLNZSCV-UHFFFAOYSA-N
XLogP2.92
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dichlorophenyl)-1-phenylpyrazol-5-amine
CID 43336748
3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
CID 71040961
4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 139228956
3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine
CID 63195160
3-(2,4-dimethylphenyl)-1-phenylpyrazol-5-amine
CID 43336745
tert-butyl 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylpyrazole-1-carboxylate;tert-butyl 5-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrazole-1-carboxylate
CID 162237930
3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine
CID 65239157
3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine
CID 63210180
3-(4-iodophenyl)-1-phenylpyrazol-5-amine
CID 43336728
3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine
CID 107982713
4-[2-amino-5-[(2-chlorophenyl)diazenyl]-1,3-thiazol-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 163183697
1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one (CID 13330527) is 4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(-c2cc(N)n(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is CIDWIZOCLNZSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-19(20(26)25(23(14)2)16-11-7-4-8-12-16)17-13-18(21)24(22-17)15-9-5-3-6-10-15/h3-13H,21H2,1-2H3.
What are the key properties of 4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one?
4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 345.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 13330527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).