3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide

C21H18FN5O — CID 97129988

IUPAC3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](Cn1cccn1)c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C21H18FN5O/c22-17-9-7-16(8-10-17)18-13-19(26-25-18)21(28)24-20(14-27-12-4-11-23-27)15-5-2-1-3-6-15/h1-13,20H,14H2,(H,24,28)(H,25,26)/t20-/m1/s1
InChIKeyOIJZYWJOKFKHGO-HXUWFJFHSA-N
MW375.41 g/mol
LogP3.58
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide (PubChem CID 97129988) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide
PubChem CID97129988
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](Cn1cccn1)c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C21H18FN5O/c22-17-9-7-16(8-10-17)18-13-19(26-25-18)21(28)24-20(14-27-12-4-11-23-27)15-5-2-1-3-6-15/h1-13,20H,14H2,(H,24,28)(H,25,26)/t20-/m1/s1
InChIKeyOIJZYWJOKFKHGO-HXUWFJFHSA-N
XLogP3.58
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(3-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
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3-fluoro-N-[(2R,3R)-3-fluoro-4-hydroxy-1-pyrazol-1-ylbutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
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N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
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3-fluoro-N-[(2R,3S)-4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide (CID 97129988) is 3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide is O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OIJZYWJOKFKHGO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18FN5O/c22-17-9-7-16(8-10-17)18-13-19(26-25-18)21(28)24-20(14-27-12-4-11-23-27)15-5-2-1-3-6-15/h1-13,20H,14H2,(H,24,28)(H,25,26)/t20-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97129988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).