(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

C18H18F2N6O2 — CID 97320876

IUPAC(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1cc(NC(=O)[C@H](C)n2cccn2)c(F)cc1F)n1cccn1
InChIInChI=1S/C18H18F2N6O2/c1-11(25-7-3-5-21-25)17(27)23-15-10-16(14(20)9-13(15)19)24-18(28)12(2)26-8-4-6-22-26/h3-12H,1-2H3,(H,23,27)(H,24,28)/t11-,12+
InChIKeyVIXPQYFLEXAFDZ-TXEJJXNPSA-N
MW388.38 g/mol
LogP2.76
Rot. Bonds6

About (2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 97320876) has the molecular formula C18H18F2N6O2 and a molecular weight of 388.38 g/mol. Its IUPAC name is (2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID97320876
Molecular FormulaC18H18F2N6O2
Molecular Weight388.38 g/mol
Exact Mass388.15
IUPAC Name(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1cc(NC(=O)[C@H](C)n2cccn2)c(F)cc1F)n1cccn1
InChIInChI=1S/C18H18F2N6O2/c1-11(25-7-3-5-21-25)17(27)23-15-10-16(14(20)9-13(15)19)24-18(28)12(2)26-8-4-6-22-26/h3-12H,1-2H3,(H,23,27)(H,24,28)/t11-,12+
InChIKeyVIXPQYFLEXAFDZ-TXEJJXNPSA-N
XLogP2.76
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106834635
N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156271
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
N-(5-chloro-2-piperidin-1-ylphenyl)-2-pyrazol-1-ylpropanamide
CID 134048479
N-(6-chloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113262980
4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211107
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzamide
CID 43055255
N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide
CID 81004249
N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42949038
N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 102979193

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 97320876) is (2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is C[C@H](C(=O)Nc1cc(NC(=O)[C@H](C)n2cccn2)c(F)cc1F)n1cccn1.
What is the InChIKey of (2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is VIXPQYFLEXAFDZ-TXEJJXNPSA-N. The full InChI is InChI=1S/C18H18F2N6O2/c1-11(25-7-3-5-21-25)17(27)23-15-10-16(14(20)9-13(15)19)24-18(28)12(2)26-8-4-6-22-26/h3-12H,1-2H3,(H,23,27)(H,24,28)/t11-,12+.
What are the key properties of (2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 388.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 97320876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).