N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide

C17H16Cl2N4O2 — CID 155524466

IUPACN-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1CCO)c1cccnc1
InChIInChI=1S/C17H16Cl2N4O2/c18-14-4-3-13(8-15(14)19)23-10-12(5-7-24)16(22-23)21-17(25)11-2-1-6-20-9-11/h1-4,6,8-9,12,24H,5,7,10H2,(H,21,22,25)
InChIKeyWQOCGQWRFGZVLD-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.95
Rot. Bonds4

About N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide

N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide (PubChem CID 155524466) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide
PubChem CID155524466
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1CCO)c1cccnc1
InChIInChI=1S/C17H16Cl2N4O2/c18-14-4-3-13(8-15(14)19)23-10-12(5-7-24)16(22-23)21-17(25)11-2-1-6-20-9-11/h1-4,6,8-9,12,24H,5,7,10H2,(H,21,22,25)
InChIKeyWQOCGQWRFGZVLD-UHFFFAOYSA-N
XLogP2.95
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-Dichlorophenyl)-3-pyridinecarboxamide
CID 668892
N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
CID 155548988
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide
CID 155519503
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
CID 155537965
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide
CID 155545289
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide
CID 155548799
N-[(4S)-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
CID 138753299
2-(4-chlorophenyl)-5-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299331
2-(4-chlorophenyl)-5-[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-4H-1,2,4-triazol-3-one
CID 137299400
N-[(4S)-1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)pyrazolidin-3-yl]pyridine-4-carboxamide
CID 137530130
3',4'-Dichloro-3-(nicotinoylhydrazono)butyranilide
CID 9602548
6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide
CID 3910786

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide (CID 155524466) is N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide is O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1CCO)c1cccnc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide?
The InChIKey is WQOCGQWRFGZVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c18-14-4-3-13(8-15(14)19)23-10-12(5-7-24)16(22-23)21-17(25)11-2-1-6-20-9-11/h1-4,6,8-9,12,24H,5,7,10H2,(H,21,22,25).
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide?
N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155524466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).