N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide

C11H10ClF3N4O — CID 59855292

IUPACN-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)nc2)CC(C(F)(F)F)=NN1
InChIInChI=1S/C11H10ClF3N4O/c1-10(4-7(18-19-10)11(13,14)15)9(20)17-6-2-3-8(12)16-5-6/h2-3,5,19H,4H2,1H3,(H,17,20)
InChIKeyUUYRMICFDYWWEV-UHFFFAOYSA-N
MW306.68 g/mol
LogP2.34
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide

N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide (PubChem CID 59855292) has the molecular formula C11H10ClF3N4O and a molecular weight of 306.68 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide
PubChem CID59855292
Molecular FormulaC11H10ClF3N4O
Molecular Weight306.68 g/mol
Exact Mass306.05
IUPAC NameN-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)nc2)CC(C(F)(F)F)=NN1
InChIInChI=1S/C11H10ClF3N4O/c1-10(4-7(18-19-10)11(13,14)15)9(20)17-6-2-3-8(12)16-5-6/h2-3,5,19H,4H2,1H3,(H,17,20)
InChIKeyUUYRMICFDYWWEV-UHFFFAOYSA-N
XLogP2.34
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide (CID 59855292) is N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide is CC1(C(=O)Nc2ccc(Cl)nc2)CC(C(F)(F)F)=NN1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
The InChIKey is UUYRMICFDYWWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O/c1-10(4-7(18-19-10)11(13,14)15)9(20)17-6-2-3-8(12)16-5-6/h2-3,5,19H,4H2,1H3,(H,17,20).
What are the key properties of N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide has a molecular weight of 306.68 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 59855292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).