(2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C21H21F2N3O — CID 97065122

IUPAC(2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@H](C)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1
InChIInChI=1S/C21H21F2N3O/c1-12(19-13(2)25-26(4)14(19)3)21(27)24-20-17(10-16(22)11-18(20)23)15-8-6-5-7-9-15/h5-12H,1-4H3,(H,24,27)/t12-/m0/s1
InChIKeyLQNRTWWVKRZKGI-LBPRGKRZSA-N
MW369.42 g/mol
LogP4.72
Rot. Bonds4

About (2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 97065122) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is (2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID97065122
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@H](C)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1
InChIInChI=1S/C21H21F2N3O/c1-12(19-13(2)25-26(4)14(19)3)21(27)24-20-17(10-16(22)11-18(20)23)15-8-6-5-7-9-15/h5-12H,1-4H3,(H,24,27)/t12-/m0/s1
InChIKeyLQNRTWWVKRZKGI-LBPRGKRZSA-N
XLogP4.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-fluoro-4-methylsulfanylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
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CID 95290074
(2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95598671
1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 71863034
3-methylsulfonyl-5-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzoic acid
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(2R)-N-(4-bromo-3-iodophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
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N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
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(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95980051
(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94866482
2-benzyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 119233623
2-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
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(2S)-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 97065122) is (2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1.
What is the InChIKey of (2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is LQNRTWWVKRZKGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-12(19-13(2)25-26(4)14(19)3)21(27)24-20-17(10-16(22)11-18(20)23)15-8-6-5-7-9-15/h5-12H,1-4H3,(H,24,27)/t12-/m0/s1.
What are the key properties of (2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 369.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 97065122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).