N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide

C13H12F2N4O2 — CID 171539134

IUPACN-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)CCNC(=O)c1cn[nH]c1-c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N4O2/c14-7-1-2-10(15)8(5-7)12-9(6-18-19-12)13(21)17-4-3-11(16)20/h1-2,5-6H,3-4H2,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyBXCLEXJVHIITMX-UHFFFAOYSA-N
MW294.26 g/mol
LogP0.96
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide

N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 171539134) has the molecular formula C13H12F2N4O2 and a molecular weight of 294.26 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID171539134
Molecular FormulaC13H12F2N4O2
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC NameN-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)CCNC(=O)c1cn[nH]c1-c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N4O2/c14-7-1-2-10(15)8(5-7)12-9(6-18-19-12)13(21)17-4-3-11(16)20/h1-2,5-6H,3-4H2,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyBXCLEXJVHIITMX-UHFFFAOYSA-N
XLogP0.96
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid
CID 171539676
N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
CID 171539842
N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540110
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
N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540349
5-(2-fluorophenyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 97320264
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754
N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 155951273
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide (CID 171539134) is N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide is NC(=O)CCNC(=O)c1cn[nH]c1-c1cc(F)ccc1F.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BXCLEXJVHIITMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O2/c14-7-1-2-10(15)8(5-7)12-9(6-18-19-12)13(21)17-4-3-11(16)20/h1-2,5-6H,3-4H2,(H2,16,20)(H,17,21)(H,18,19).
What are the key properties of N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide?
N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 294.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 171539134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).