N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

C17H17N5O2 — CID 90700662

IUPACN-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H17N5O2/c1-11-14(16(23)20-13-9-6-10-19-15(13)18)17(24)22(21(11)2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H2,18,19)(H,20,23)
InChIKeyIJGRIYOJDMRZKO-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.71
Rot. Bonds3

About N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 90700662) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID90700662
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H17N5O2/c1-11-14(16(23)20-13-9-6-10-19-15(13)18)17(24)22(21(11)2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H2,18,19)(H,20,23)
InChIKeyIJGRIYOJDMRZKO-UHFFFAOYSA-N
XLogP1.71
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 91309474
N-(4-bromo-2-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 59383941
N-(2-chloro-5-fluoro-4-hydroxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90033637
3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide
CID 73051075
N-[4-(3-amino-6-piperidin-1-ylpyrazin-2-yl)phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 66546510
N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 59383942
N-[2,5-difluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 72550966
1,5-dimethyl-2-phenyl-4-(2,2,2-trifluoroacetyl)pyrazol-3-one
CID 174506740
N-[4-[3-amino-6-(6-imidazol-1-yl-2-pyridinyl)pyrazin-2-yl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90257029
N-[4-[3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 73053686
N-[2,5-difluoro-4-[[2-(2-methylbutanoylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 73051226
phenyl 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylate
CID 134119473

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 90700662) is N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccnc2N)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is IJGRIYOJDMRZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-14(16(23)20-13-9-6-10-19-15(13)18)17(24)22(21(11)2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H2,18,19)(H,20,23).
What are the key properties of N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 90700662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).