2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide

C20H22N4O — CID 124888794

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(C)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C20H22N4O/c1-14-17(15(2)23-22-14)13-19(25)24(3)20(16-9-5-4-6-10-16)18-11-7-8-12-21-18/h4-12,20H,13H2,1-3H3,(H,22,23)/t20-/m0/s1
InChIKeyMZGQDSBYSCIZAB-FQEVSTJZSA-N
MW334.42 g/mol
LogP3.21
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide (PubChem CID 124888794) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
PubChem CID124888794
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(C)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C20H22N4O/c1-14-17(15(2)23-22-14)13-19(25)24(3)20(16-9-5-4-6-10-16)18-11-7-8-12-21-18/h4-12,20H,13H2,1-3H3,(H,22,23)/t20-/m0/s1
InChIKeyMZGQDSBYSCIZAB-FQEVSTJZSA-N
XLogP3.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide with MolForge

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Related Compounds

N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51956913
N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide
CID 55767309
N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55767815
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
N-methyl-2-(2-methylindol-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55767403
4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55768262
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyridin-2-ylacetamide
CID 77085816
4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
CID 65067919
3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 95163358
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]-2-phenylacetic acid
CID 72873742
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
N-methyl-2-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 94822267

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide (CID 124888794) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide is Cc1n[nH]c(C)c1CC(=O)N(C)[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
The InChIKey is MZGQDSBYSCIZAB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-17(15(2)23-22-14)13-19(25)24(3)20(16-9-5-4-6-10-16)18-11-7-8-12-21-18/h4-12,20H,13H2,1-3H3,(H,22,23)/t20-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 124888794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).