3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide

C21H17FN4O — CID 134155661

IUPAC3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccncc1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O/c22-17-8-6-16(7-9-17)20-14-19(15-4-2-1-3-5-15)25-26(20)21(27)24-18-10-12-23-13-11-18/h1-13,20H,14H2,(H,23,24,27)
InChIKeyIAQPONQUFBLUJV-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.60
Rot. Bonds3

About 3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide

3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 134155661) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID134155661
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccncc1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O/c22-17-8-6-16(7-9-17)20-14-19(15-4-2-1-3-5-15)25-26(20)21(27)24-18-10-12-23-13-11-18/h1-13,20H,14H2,(H,23,24,27)
InChIKeyIAQPONQUFBLUJV-UHFFFAOYSA-N
XLogP4.60
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide (CID 134155661) is 3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccncc1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is IAQPONQUFBLUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-17-8-6-16(7-9-17)20-14-19(15-4-2-1-3-5-15)25-26(20)21(27)24-18-10-12-23-13-11-18/h1-13,20H,14H2,(H,23,24,27).
What are the key properties of 3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-phenyl-N-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 134155661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).