N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide

C20H17ClF3N3O — CID 2166915

IUPACN-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClF3N3O/c1-14-18(21)19(20(22,23)24)25-27(14)13-17(28)26(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKeyDQHUNQPOBFLPAH-UHFFFAOYSA-N
MW407.82 g/mol
LogP5.10
Rot. Bonds5

About N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide

N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide (PubChem CID 2166915) has the molecular formula C20H17ClF3N3O and a molecular weight of 407.82 g/mol. Its IUPAC name is N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
PubChem CID2166915
Molecular FormulaC20H17ClF3N3O
Molecular Weight407.82 g/mol
Exact Mass407.10
IUPAC NameN-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClF3N3O/c1-14-18(21)19(20(22,23)24)25-27(14)13-17(28)26(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKeyDQHUNQPOBFLPAH-UHFFFAOYSA-N
XLogP5.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.82
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide (CID 2166915) is N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide is Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide?
The InChIKey is DQHUNQPOBFLPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O/c1-14-18(21)19(20(22,23)24)25-27(14)13-17(28)26(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3.
What are the key properties of N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide?
N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide has a molecular weight of 407.82 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 2166915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).