2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide

C17H14Cl2N4O — CID 49497172

IUPAC2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(CCc2ccccn2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N4O/c18-12-4-5-14(15(19)11-12)17(24)21-16-7-10-23(22-16)9-6-13-3-1-2-8-20-13/h1-5,7-8,10-11H,6,9H2,(H,21,22,24)
InChIKeyHNUCADMROVSIJH-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.08
Rot. Bonds5

About 2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide

2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide (PubChem CID 49497172) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide
PubChem CID49497172
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(CCc2ccccn2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N4O/c18-12-4-5-14(15(19)11-12)17(24)21-16-7-10-23(22-16)9-6-13-3-1-2-8-20-13/h1-5,7-8,10-11H,6,9H2,(H,21,22,24)
InChIKeyHNUCADMROVSIJH-UHFFFAOYSA-N
XLogP4.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 49496908
5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089643
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 35537616
6-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089636
2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
CID 99626160
6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 51130808
2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19347045
(2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95141743
2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide
CID 47088292
(2R,3S)-2-methyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 52537582
3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 49497131
2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286709

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide (CID 49497172) is 2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide is O=C(Nc1ccn(CCc2ccccn2)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide?
The InChIKey is HNUCADMROVSIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c18-12-4-5-14(15(19)11-12)17(24)21-16-7-10-23(22-16)9-6-13-3-1-2-8-20-13/h1-5,7-8,10-11H,6,9H2,(H,21,22,24).
What are the key properties of 2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide?
2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide has a molecular weight of 361.23 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 49497172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).