N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide

C20H22N4O — CID 17416540

IUPACN-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H22N4O/c1-16-8-10-18(11-9-16)22-20(25)15-23(2)13-17-12-21-24(14-17)19-6-4-3-5-7-19/h3-12,14H,13,15H2,1-2H3,(H,22,25)
InChIKeyYCUVKMQGEVKDMD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.25
Rot. Bonds6

About N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide

N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 17416540) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID17416540
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H22N4O/c1-16-8-10-18(11-9-16)22-20(25)15-23(2)13-17-12-21-24(14-17)19-6-4-3-5-7-19/h3-12,14H,13,15H2,1-2H3,(H,22,25)
InChIKeyYCUVKMQGEVKDMD-UHFFFAOYSA-N
XLogP3.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416541
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17441369
N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
CID 87014725
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 78825870
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55505000
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 51230206
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 35057961
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 27793538
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (CID 17416540) is N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is Cc1ccc(NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is YCUVKMQGEVKDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-8-10-18(11-9-16)22-20(25)15-23(2)13-17-12-21-24(14-17)19-6-4-3-5-7-19/h3-12,14H,13,15H2,1-2H3,(H,22,25).
What are the key properties of N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 17416540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).