N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide

C15H19FN4O — CID 119582420

IUPACN-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C(C)CN)cnn1-c1ccc(F)cc1
InChIInChI=1S/C15H19FN4O/c1-10(8-17)19(3)15(21)14-9-18-20(11(14)2)13-6-4-12(16)5-7-13/h4-7,9-10H,8,17H2,1-3H3
InChIKeyQLWRTXAYBPFBPJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.74
Rot. Bonds4

About N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide

N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 119582420) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
PubChem CID119582420
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C(C)CN)cnn1-c1ccc(F)cc1
InChIInChI=1S/C15H19FN4O/c1-10(8-17)19(3)15(21)14-9-18-20(11(14)2)13-6-4-12(16)5-7-13/h4-7,9-10H,8,17H2,1-3H3
InChIKeyQLWRTXAYBPFBPJ-UHFFFAOYSA-N
XLogP1.74
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
CID 142010489
diethyl (2R)-2-[[(2S)-2-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]-3-methylbutanoyl]amino]pentanedioate
CID 171564030
N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119584582
1-(4-fluorophenyl)-5-methyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]pyrazole-4-carboxamide
CID 46414608
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698
(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
1-(4-fluorophenyl)-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-carboxamide
CID 37133499
N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39862153
1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 38488734
N-(cyanomethyl)-N-cyclopropyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47795680

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide (CID 119582420) is N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)C(C)CN)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is QLWRTXAYBPFBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-10(8-17)19(3)15(21)14-9-18-20(11(14)2)13-6-4-12(16)5-7-13/h4-7,9-10H,8,17H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 119582420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).