N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide

C11H5ClF5N3O — CID 57061043

IUPACN-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide
SMILESO=CN(c1ccc(F)cc1F)c1c(Cl)cnn1C(F)(F)F
InChIInChI=1S/C11H5ClF5N3O/c12-7-4-18-20(11(15,16)17)10(7)19(5-21)9-2-1-6(13)3-8(9)14/h1-5H
InChIKeyVNYHPAQDKQYJCG-UHFFFAOYSA-N
MW325.62 g/mol
LogP3.59
Rot. Bonds3

About N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide

N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide (PubChem CID 57061043) has the molecular formula C11H5ClF5N3O and a molecular weight of 325.62 g/mol. Its IUPAC name is N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide.

Molecular Properties

Compound NameN-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide
PubChem CID57061043
Molecular FormulaC11H5ClF5N3O
Molecular Weight325.62 g/mol
Exact Mass325.00
IUPAC NameN-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide
SMILESO=CN(c1ccc(F)cc1F)c1c(Cl)cnn1C(F)(F)F
InChIInChI=1S/C11H5ClF5N3O/c12-7-4-18-20(11(15,16)17)10(7)19(5-21)9-2-1-6(13)3-8(9)14/h1-5H
InChIKeyVNYHPAQDKQYJCG-UHFFFAOYSA-N
XLogP3.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide?
The IUPAC name of N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide (CID 57061043) is N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide.
What is the SMILES notation for N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide?
The canonical SMILES for N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide is O=CN(c1ccc(F)cc1F)c1c(Cl)cnn1C(F)(F)F.
What is the InChIKey of N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide?
The InChIKey is VNYHPAQDKQYJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF5N3O/c12-7-4-18-20(11(15,16)17)10(7)19(5-21)9-2-1-6(13)3-8(9)14/h1-5H.
What are the key properties of N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide?
N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide has a molecular weight of 325.62 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide is sourced from PubChem (CID 57061043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).