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

C25H19ClFN5O — CID 155813513

IUPAC3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccc(F)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H19ClFN5O/c26-18-10-6-17(7-11-18)24-21(15-31(30-24)20-4-2-1-3-5-20)23-14-22(29-32(23)25(28)33)16-8-12-19(27)13-9-16/h1-13,15,23H,14H2,(H2,28,33)
InChIKeyIZHMXUHYBIGHNK-UHFFFAOYSA-N
MW459.91 g/mol
LogP5.56
Rot. Bonds4

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

3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 155813513) has the molecular formula C25H19ClFN5O and a molecular weight of 459.91 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID155813513
Molecular FormulaC25H19ClFN5O
Molecular Weight459.91 g/mol
Exact Mass459.13
IUPAC Name3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccc(F)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H19ClFN5O/c26-18-10-6-17(7-11-18)24-21(15-31(30-24)20-4-2-1-3-5-20)23-14-22(29-32(23)25(28)33)16-8-12-19(27)13-9-16/h1-13,15,23H,14H2,(H2,28,33)
InChIKeyIZHMXUHYBIGHNK-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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Related Compounds

3-(2''-chlorobiphenyl-3-yl)-1H-pyrazole-1-carboxamide
CID 11231810
3-(2''-chlorobiphenyl-4-yl)-1H-pyrazole-1-carboxamide
CID 49866005
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoroaniline
CID 70696757
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
CID 66560342
[(Z)-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea
CID 5457247
4-chloro-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 66560254
1-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-phenylthiourea
CID 118715493
5-(4-Chlorophenyl)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide
CID 155805994
5-(4-Aminophenyl)-3-[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbothioamide
CID 162646525
5-(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-(pyridin-3-yl)-4,5-dihydropyrazole-1-carbothioamide (6c)
CID 122198595
4-(Azidomethyl)-3-(4-chlorophenyl)-1-phenylpyrazole
CID 12142283
N-[(E)-[1-(4-chlorophenyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2-fluoro-aniline
CID 56930888

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide (CID 155813513) is 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide is NC(=O)N1N=C(c2ccc(F)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is IZHMXUHYBIGHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O/c26-18-10-6-17(7-11-18)24-21(15-31(30-24)20-4-2-1-3-5-20)23-14-22(29-32(23)25(28)33)16-8-12-19(27)13-9-16/h1-13,15,23H,14H2,(H2,28,33).
What are the key properties of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-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 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 155813513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).