N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide

C22H25N3O — CID 19337840

IUPACN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
SMILESCc1ccc(Cn2nc(C)c(NC(=O)CCc3ccccc3)c2C)cc1
InChIInChI=1S/C22H25N3O/c1-16-9-11-20(12-10-16)15-25-18(3)22(17(2)24-25)23-21(26)14-13-19-7-5-4-6-8-19/h4-12H,13-15H2,1-3H3,(H,23,26)
InChIKeyHGPZBQFUZOVZQS-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.43
Rot. Bonds6

About N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide

N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide (PubChem CID 19337840) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
PubChem CID19337840
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
SMILESCc1ccc(Cn2nc(C)c(NC(=O)CCc3ccccc3)c2C)cc1
InChIInChI=1S/C22H25N3O/c1-16-9-11-20(12-10-16)15-25-18(3)22(17(2)24-25)23-21(26)14-13-19-7-5-4-6-8-19/h4-12H,13-15H2,1-3H3,(H,23,26)
InChIKeyHGPZBQFUZOVZQS-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
CID 19337848
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-methylbenzoyl)benzamide
CID 19335881
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-methylphenyl)thiourea
CID 19342665
2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19346727
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
CID 1225812
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839
N-(2-aminophenyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide;hydrochloride
CID 119422553
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19335897
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide
CID 19289419
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19337976
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide (CID 19337840) is N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide is Cc1ccc(Cn2nc(C)c(NC(=O)CCc3ccccc3)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide?
The InChIKey is HGPZBQFUZOVZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-9-11-20(12-10-16)15-25-18(3)22(17(2)24-25)23-21(26)14-13-19-7-5-4-6-8-19/h4-12H,13-15H2,1-3H3,(H,23,26).
What are the key properties of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide?
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 19337840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).