N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide

C20H20ClN3O — CID 134158634

IUPACN-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C20H20ClN3O/c1-13-19(14(2)24(23-13)18-7-5-4-6-8-18)20(22-15(3)25)16-9-11-17(21)12-10-16/h4-12,20H,1-3H3,(H,22,25)
InChIKeyVKYGIYIINPZDTL-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.37
Rot. Bonds4

About N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide

N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 134158634) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID134158634
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C20H20ClN3O/c1-13-19(14(2)24(23-13)18-7-5-4-6-8-18)20(22-15(3)25)16-9-11-17(21)12-10-16/h4-12,20H,1-3H3,(H,22,25)
InChIKeyVKYGIYIINPZDTL-UHFFFAOYSA-N
XLogP4.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 101421740
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9334963
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium
CID 9334966
3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 16575175
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 24628215
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 16575388
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 18275042
ethyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate
CID 62085446
2,4-bis[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1,5-dipyrrolidin-1-ylpentan-3-one
CID 175281612

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide (CID 134158634) is N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide is CC(=O)NC(c1ccc(Cl)cc1)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is VKYGIYIINPZDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-13-19(14(2)24(23-13)18-7-5-4-6-8-18)20(22-15(3)25)16-9-11-17(21)12-10-16/h4-12,20H,1-3H3,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 353.85 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 134158634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).