N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide

C22H25N3O — CID 45236563

IUPACN-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1cc(CN(C)C(=O)CC(c2ccccc2)c2ccccc2C)n[nH]1
InChIInChI=1S/C22H25N3O/c1-16-9-7-8-12-20(16)21(18-10-5-4-6-11-18)14-22(26)25(3)15-19-13-17(2)23-24-19/h4-13,21H,14-15H2,1-3H3,(H,23,24)
InChIKeyMBCKQSGEVUIFHA-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.21
Rot. Bonds6

About N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide

N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide (PubChem CID 45236563) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide
PubChem CID45236563
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1cc(CN(C)C(=O)CC(c2ccccc2)c2ccccc2C)n[nH]1
InChIInChI=1S/C22H25N3O/c1-16-9-7-8-12-20(16)21(18-10-5-4-6-11-18)14-22(26)25(3)15-19-13-17(2)23-24-19/h4-13,21H,14-15H2,1-3H3,(H,23,24)
InChIKeyMBCKQSGEVUIFHA-UHFFFAOYSA-N
XLogP4.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide (CID 45236563) is N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide is Cc1cc(CN(C)C(=O)CC(c2ccccc2)c2ccccc2C)n[nH]1.
What is the InChIKey of N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide?
The InChIKey is MBCKQSGEVUIFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-9-7-8-12-20(16)21(18-10-5-4-6-11-18)14-22(26)25(3)15-19-13-17(2)23-24-19/h4-13,21H,14-15H2,1-3H3,(H,23,24).
What are the key properties of N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide?
N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 45236563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).