5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide

C18H20N6O2 — CID 51999504

IUPAC5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cnn(C(C)C)c2)nn1-c1ccccc1
InChIInChI=1S/C18H20N6O2/c1-12(2)23-11-14(10-19-23)21-18(26)16-9-17(20-13(3)25)24(22-16)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,20,25)(H,21,26)
InChIKeyLABOIXPEWIBWDI-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.86
Rot. Bonds5

About 5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide

5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide (PubChem CID 51999504) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide
PubChem CID51999504
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cnn(C(C)C)c2)nn1-c1ccccc1
InChIInChI=1S/C18H20N6O2/c1-12(2)23-11-14(10-19-23)21-18(26)16-9-17(20-13(3)25)24(22-16)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,20,25)(H,21,26)
InChIKeyLABOIXPEWIBWDI-UHFFFAOYSA-N
XLogP2.86
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-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

5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51999507
5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
CID 51999377
5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
CID 51999445
ethyl 4-[(5-acetamido-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 51999347
5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 51999455
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 102552878
2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 62904126
3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide
CID 51999466
3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 134702922
5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472
5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide
CID 51999451

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide (CID 51999504) is 5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide is CC(=O)Nc1cc(C(=O)Nc2cnn(C(C)C)c2)nn1-c1ccccc1.
What is the InChIKey of 5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide?
The InChIKey is LABOIXPEWIBWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12(2)23-11-14(10-19-23)21-18(26)16-9-17(20-13(3)25)24(22-16)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,20,25)(H,21,26).
What are the key properties of 5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide?
5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 51999504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).