(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H23N5O — CID 95980051

IUPAC(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ccccc1-n1nccc1NC(=O)[C@H](C)c1c(C)nn(C)c1C
InChIInChI=1S/C19H23N5O/c1-12-8-6-7-9-16(12)24-17(10-11-20-24)21-19(25)13(2)18-14(3)22-23(5)15(18)4/h6-11,13H,1-5H3,(H,21,25)/t13-/m1/s1
InChIKeyIUTIOXWMEYYMLX-CYBMUJFWSA-N
MW337.43 g/mol
LogP3.27
Rot. Bonds4

About (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 95980051) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID95980051
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ccccc1-n1nccc1NC(=O)[C@H](C)c1c(C)nn(C)c1C
InChIInChI=1S/C19H23N5O/c1-12-8-6-7-9-16(12)24-17(10-11-20-24)21-19(25)13(2)18-14(3)22-23(5)15(18)4/h6-11,13H,1-5H3,(H,21,25)/t13-/m1/s1
InChIKeyIUTIOXWMEYYMLX-CYBMUJFWSA-N
XLogP3.27
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
CID 96539727
2-ethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]propanamide
CID 56789802
2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid
CID 55209552
1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea
CID 84598091
N-[1-methyl-3-(1-methylimidazol-2-yl)pyrazol-5-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 127595040
(2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide
CID 100725773
N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide
CID 124574173
(2S)-N-(1-tert-butyl-4-cyanopyrrol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95761005
(2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94798718
(2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065122
(2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95598671
2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
CID 75467532

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 95980051) is (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1ccccc1-n1nccc1NC(=O)[C@H](C)c1c(C)nn(C)c1C.
What is the InChIKey of (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is IUTIOXWMEYYMLX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-8-6-7-9-16(12)24-17(10-11-20-24)21-19(25)13(2)18-14(3)22-23(5)15(18)4/h6-11,13H,1-5H3,(H,21,25)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 337.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 95980051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).