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

C19H15ClF2N4O2 — CID 171540184

IUPACN-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccc(F)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C19H15ClF2N4O2/c20-11-3-1-2-10(6-11)16(8-17(23)27)25-19(28)14-9-24-26-18(14)13-5-4-12(21)7-15(13)22/h1-7,9,16H,8H2,(H2,23,27)(H,24,26)(H,25,28)/t16-/m0/s1
InChIKeyYKEHZXBAAFJVTM-INIZCTEOSA-N
MW404.80 g/mol
LogP3.35
Rot. Bonds6

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

N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 171540184) has the molecular formula C19H15ClF2N4O2 and a molecular weight of 404.80 g/mol. Its IUPAC name is N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID171540184
Molecular FormulaC19H15ClF2N4O2
Molecular Weight404.80 g/mol
Exact Mass404.09
IUPAC NameN-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccc(F)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C19H15ClF2N4O2/c20-11-3-1-2-10(6-11)16(8-17(23)27)25-19(28)14-9-24-26-18(14)13-5-4-12(21)7-15(13)22/h1-7,9,16H,8H2,(H2,23,27)(H,24,26)(H,25,28)/t16-/m0/s1
InChIKeyYKEHZXBAAFJVTM-INIZCTEOSA-N
XLogP3.35
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.80
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2-fluoro-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 171539466
methyl 3-[4-[[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]carbamoyl]-1H-pyrazol-5-yl]-4-fluorobenzoate
CID 171539513
N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-[2-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 171539830
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide
CID 171539571
N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-[4-(prop-2-enoylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 171540084
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 171539997
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2-prop-2-enoyl-3,4-dihydropyrazol-5-yl)-1H-pyrazole-4-carboxamide
CID 171539384
N-[4-[4-[[(1S)-3-amino-1-(3-cyanophenyl)-3-oxopropyl]carbamoyl]-1H-pyrazol-5-yl]-3-fluorophenyl]-4-[(1S)-3-amino-1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-3-oxopropyl]benzonitrilium
CID 171540291
3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole
CID 170952101
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(oxan-2-yl)-1H-pyrazole-4-carboxamide
CID 171539850
N-[(1S)-1-(3-chlorophenyl)-3-hydroxy-3-(methylamino)propyl]-5-(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1H-pyrazole-4-carboxamide
CID 171540121
N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539134

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide (CID 171540184) is N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide is NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccc(F)cc1F)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is YKEHZXBAAFJVTM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15ClF2N4O2/c20-11-3-1-2-10(6-11)16(8-17(23)27)25-19(28)14-9-24-26-18(14)13-5-4-12(21)7-15(13)22/h1-7,9,16H,8H2,(H2,23,27)(H,24,26)(H,25,28)/t16-/m0/s1.
What are the key properties of N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide?
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 404.80 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 171540184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).