5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide

C19H18FN3O2 — CID 97051849

IUPAC5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC[C@@H](O)c1ccccc1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C19H18FN3O2/c20-16-9-5-4-8-14(16)18-15(12-22-23-18)19(25)21-11-10-17(24)13-6-2-1-3-7-13/h1-9,12,17,24H,10-11H2,(H,21,25)(H,22,23)/t17-/m1/s1
InChIKeyVOKYGVPXQDLAKK-QGZVFWFLSA-N
MW339.37 g/mol
LogP3.07
Rot. Bonds6

About 5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide (PubChem CID 97051849) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
PubChem CID97051849
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC[C@@H](O)c1ccccc1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C19H18FN3O2/c20-16-9-5-4-8-14(16)18-15(12-22-23-18)19(25)21-11-10-17(24)13-6-2-1-3-7-13/h1-9,12,17,24H,10-11H2,(H,21,25)(H,22,23)/t17-/m1/s1
InChIKeyVOKYGVPXQDLAKK-QGZVFWFLSA-N
XLogP3.07
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 97320264
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71856768
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378535
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156
N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460
2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 99854560
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide (CID 97051849) is 5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide is O=C(NCC[C@@H](O)c1ccccc1)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide?
The InChIKey is VOKYGVPXQDLAKK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-16-9-5-4-8-14(16)18-15(12-22-23-18)19(25)21-11-10-17(24)13-6-2-1-3-7-13/h1-9,12,17,24H,10-11H2,(H,21,25)(H,22,23)/t17-/m1/s1.
What are the key properties of 5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97051849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).