5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide

C19H19ClN4O — CID 46104817

IUPAC5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccccn2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O/c1-2-24-18(14-6-5-7-15(20)12-14)13-17(23-24)19(25)22-11-9-16-8-3-4-10-21-16/h3-8,10,12-13H,2,9,11H2,1H3,(H,22,25)
InChIKeyDESIAKYHPSUCNZ-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.59
Rot. Bonds6

About 5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide

5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide (PubChem CID 46104817) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
PubChem CID46104817
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccccn2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O/c1-2-24-18(14-6-5-7-15(20)12-14)13-17(23-24)19(25)22-11-9-16-8-3-4-10-21-16/h3-8,10,12-13H,2,9,11H2,1H3,(H,22,25)
InChIKeyDESIAKYHPSUCNZ-UHFFFAOYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46171104
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 44763355
1-benzyl-6-oxo-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 35864486
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 134462934
1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 46104554
7-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46170354
4-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172971
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)benzamide
CID 62171740
4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172972
(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 31528376

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide (CID 46104817) is 5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide is CCn1nc(C(=O)NCCc2ccccn2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
The InChIKey is DESIAKYHPSUCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-2-24-18(14-6-5-7-15(20)12-14)13-17(23-24)19(25)22-11-9-16-8-3-4-10-21-16/h3-8,10,12-13H,2,9,11H2,1H3,(H,22,25).
What are the key properties of 5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46104817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).