5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide

C25H19ClFN5O — CID 155816604

IUPAC5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C25H19ClFN5O/c26-18-10-6-16(7-11-18)22-14-23(32(29-22)25(28)33)21-15-31(20-4-2-1-3-5-20)30-24(21)17-8-12-19(27)13-9-17/h1-13,15,23H,14H2,(H2,28,33)
InChIKeyQFPGXHUSRVMYNK-UHFFFAOYSA-N
MW459.91 g/mol
LogP5.56
Rot. Bonds4

About 5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 155816604) has the molecular formula C25H19ClFN5O and a molecular weight of 459.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID155816604
Molecular FormulaC25H19ClFN5O
Molecular Weight459.91 g/mol
Exact Mass459.13
IUPAC Name5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C25H19ClFN5O/c26-18-10-6-16(7-11-18)22-14-23(32(29-22)25(28)33)21-15-31(20-4-2-1-3-5-20)30-24(21)17-8-12-19(27)13-9-17/h1-13,15,23H,14H2,(H2,28,33)
InChIKeyQFPGXHUSRVMYNK-UHFFFAOYSA-N
XLogP5.56
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide (CID 155816604) is 5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide is NC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is QFPGXHUSRVMYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O/c26-18-10-6-16(7-11-18)22-14-23(32(29-22)25(28)33)21-15-31(20-4-2-1-3-5-20)30-24(21)17-8-12-19(27)13-9-17/h1-13,15,23H,14H2,(H2,28,33).
What are the key properties of 5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 459.91 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 155816604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).