N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide

C12H11FN4O3 — CID 24971315

IUPACN-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(CO)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O3/c13-7-1-3-8(4-2-7)15-12(20)11-9(5-14-17-11)16-10(19)6-18/h1-5,18H,6H2,(H,14,17)(H,15,20)(H,16,19)
InChIKeyXPWCZMMPBBEBJG-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.73
Rot. Bonds4

About N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide

N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 24971315) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID24971315
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC NameN-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(CO)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O3/c13-7-1-3-8(4-2-7)15-12(20)11-9(5-14-17-11)16-10(19)6-18/h1-5,18H,6H2,(H,14,17)(H,15,20)(H,16,19)
InChIKeyXPWCZMMPBBEBJG-UHFFFAOYSA-N
XLogP0.73
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.73
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
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
Pyrazolo(4,3-c)pyrazol-3(2H)-one, 1,4-dihydro-1-methyl-2-phenyl-
CID 902634

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide (CID 24971315) is N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide is O=C(CO)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is XPWCZMMPBBEBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c13-7-1-3-8(4-2-7)15-12(20)11-9(5-14-17-11)16-10(19)6-18/h1-5,18H,6H2,(H,14,17)(H,15,20)(H,16,19).
What are the key properties of N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide?
N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 278.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(2-hydroxyacetyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24971315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).