N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide

C13H13FN4O3 — CID 59733412

IUPACN-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide
SMILESO=C(CCO)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H13FN4O3/c14-8-1-3-9(4-2-8)16-13(21)12-10(7-15-18-12)17-11(20)5-6-19/h1-4,7,19H,5-6H2,(H,15,18)(H,16,21)(H,17,20)
InChIKeyCBNVKEGLIPKZLV-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.12
Rot. Bonds5

About N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide

N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide (PubChem CID 59733412) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide
PubChem CID59733412
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC NameN-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide
SMILESO=C(CCO)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H13FN4O3/c14-8-1-3-9(4-2-8)16-13(21)12-10(7-15-18-12)17-11(20)5-6-19/h1-4,7,19H,5-6H2,(H,15,18)(H,16,21)(H,17,20)
InChIKeyCBNVKEGLIPKZLV-UHFFFAOYSA-N
XLogP1.12
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-Phenyl-1H-pyrazole-3-carboxamide
CID 680935
4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24864077
(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide
CID 24864078
(((2,6-difluorophenyl)carbonyl)amino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24864079
N-(4-fluorophenyl)-4-(2-hydroxyacetamido)-1H-pyrazole-3-carboxamide
CID 24971315
Pyrazole diamide, 21
CID 24971317
N-(4-fluorophenyl)-4-(2-phenylacetamido)-1H-pyrazole-3-carboxamide
CID 24971316
N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46848506
4-nitro-N-phenyl-1H-pyrazole-3-carboxamide
CID 686224
4-amino-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24971314
4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 63105568
N-(2-Fluorophenyl)-1H-pyrazole-3-carboxamide
CID 754445

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide (CID 59733412) is N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide is O=C(CCO)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is CBNVKEGLIPKZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c14-8-1-3-9(4-2-8)16-13(21)12-10(7-15-18-12)17-11(20)5-6-19/h1-4,7,19H,5-6H2,(H,15,18)(H,16,21)(H,17,20).
What are the key properties of N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide?
N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 292.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).