5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide

C19H17ClFN3O2 — CID 155946974

IUPAC5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1ccccc1Cl)C(O)c1ccccc1F
InChIInChI=1S/C19H17ClFN3O2/c1-11(18(25)13-7-3-5-9-16(13)21)23-19(26)14-10-22-24-17(14)12-6-2-4-8-15(12)20/h2-11,18,25H,1H3,(H,22,24)(H,23,26)
InChIKeyDFIIMFXHTOVHIR-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.72
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide

5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 155946974) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID155946974
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1ccccc1Cl)C(O)c1ccccc1F
InChIInChI=1S/C19H17ClFN3O2/c1-11(18(25)13-7-3-5-9-16(13)21)23-19(26)14-10-22-24-17(14)12-6-2-4-8-15(12)20/h2-11,18,25H,1H3,(H,22,24)(H,23,26)
InChIKeyDFIIMFXHTOVHIR-UHFFFAOYSA-N
XLogP3.72
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 155951273
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5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 51645764
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 51645765
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide
CID 175455416
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 155951280
3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide
CID 154863739
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156
5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide (CID 155946974) is 5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide is CC(NC(=O)c1cn[nH]c1-c1ccccc1Cl)C(O)c1ccccc1F.
What is the InChIKey of 5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is DFIIMFXHTOVHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-11(18(25)13-7-3-5-9-16(13)21)23-19(26)14-10-22-24-17(14)12-6-2-4-8-15(12)20/h2-11,18,25H,1H3,(H,22,24)(H,23,26).
What are the key properties of 5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide?
5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155946974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).