1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide

C20H22N4O — CID 124872713

IUPAC1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N[C@H](Cc1ccccn1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-14-19(15(2)24(3)23-14)20(25)22-18(16-9-5-4-6-10-16)13-17-11-7-8-12-21-17/h4-12,18H,13H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyXTGUIOFKTUILJV-GOSISDBHSA-N
MW334.42 g/mol
LogP3.15
Rot. Bonds5

About 1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide (PubChem CID 124872713) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide
PubChem CID124872713
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N[C@H](Cc1ccccn1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-14-19(15(2)24(3)23-14)20(25)22-18(16-9-5-4-6-10-16)13-17-11-7-8-12-21-17/h4-12,18H,13H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyXTGUIOFKTUILJV-GOSISDBHSA-N
XLogP3.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
CID 129358685
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110001567
1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide
CID 166227368
1,3,5-trimethyl-N-[(2S)-4-oxo-4-phenylbutan-2-yl]pyrazole-4-carboxamide
CID 97065090
N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 43073082
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-(1-phenyl-2-pyridin-2-ylethyl)formamide
CID 57000523
2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 71987373
ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
CID 124872619
2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 84962872
3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide
CID 134542197

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide (CID 124872713) is 1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N[C@H](Cc1ccccn1)c1ccccc1.
What is the InChIKey of 1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide?
The InChIKey is XTGUIOFKTUILJV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-19(15(2)24(3)23-14)20(25)22-18(16-9-5-4-6-10-16)13-17-11-7-8-12-21-17/h4-12,18H,13H2,1-3H3,(H,22,25)/t18-/m1/s1.
What are the key properties of 1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 124872713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).