5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide

C25H20ClN5O — CID 155810356

IUPAC5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H20ClN5O/c26-19-13-11-17(12-14-19)22-15-23(31(28-22)25(27)32)21-16-30(20-9-5-2-6-10-20)29-24(21)18-7-3-1-4-8-18/h1-14,16,23H,15H2,(H2,27,32)
InChIKeyFBSSXLAQRGSNKB-UHFFFAOYSA-N
MW441.92 g/mol
LogP5.42
Rot. Bonds4

About 5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 155810356) has the molecular formula C25H20ClN5O and a molecular weight of 441.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID155810356
Molecular FormulaC25H20ClN5O
Molecular Weight441.92 g/mol
Exact Mass441.14
IUPAC Name5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H20ClN5O/c26-19-13-11-17(12-14-19)22-15-23(31(28-22)25(27)32)21-16-30(20-9-5-2-6-10-20)29-24(21)18-7-3-1-4-8-18/h1-14,16,23H,15H2,(H2,27,32)
InChIKeyFBSSXLAQRGSNKB-UHFFFAOYSA-N
XLogP5.42
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 55.42
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-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide (CID 155810356) is 5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide is NC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is FBSSXLAQRGSNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O/c26-19-13-11-17(12-14-19)22-15-23(31(28-22)25(27)32)21-16-30(20-9-5-2-6-10-20)29-24(21)18-7-3-1-4-8-18/h1-14,16,23H,15H2,(H2,27,32).
What are the key properties of 5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 5.42, 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-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 155810356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).