N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide

C14H15FN4O2 — CID 171539942

IUPACN-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCC(N)=O)c1-c1ccccc1F
InChIInChI=1S/C14H15FN4O2/c1-8-12(9-4-2-3-5-10(9)15)13(19-18-8)14(21)17-7-6-11(16)20/h2-5H,6-7H2,1H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyQILDJTZYBWTPHS-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.13
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide

N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 171539942) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID171539942
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCC(N)=O)c1-c1ccccc1F
InChIInChI=1S/C14H15FN4O2/c1-8-12(9-4-2-3-5-10(9)15)13(19-18-8)14(21)17-7-6-11(16)20/h2-5H,6-7H2,1H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyQILDJTZYBWTPHS-UHFFFAOYSA-N
XLogP1.13
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82472519
N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 171539147
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
CID 82471436
N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene
CID 171539568
4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 135567427
N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539134
4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 110852276
chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide
CID 171540298
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 171539942) is N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCC(N)=O)c1-c1ccccc1F.
What is the InChIKey of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is QILDJTZYBWTPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-8-12(9-4-2-3-5-10(9)15)13(19-18-8)14(21)17-7-6-11(16)20/h2-5H,6-7H2,1H3,(H2,16,20)(H,17,21)(H,18,19).
What are the key properties of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.13, 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)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 171539942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).