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

C17H16Cl2N4O2 — CID 155548988

IUPACN-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1CCO)c1ccncc1
InChIInChI=1S/C17H16Cl2N4O2/c18-14-2-1-13(9-15(14)19)23-10-12(5-8-24)16(22-23)21-17(25)11-3-6-20-7-4-11/h1-4,6-7,9,12,24H,5,8,10H2,(H,21,22,25)
InChIKeyXHACMMNMQIKLAQ-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-4-carboxamide

N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide (PubChem CID 155548988) 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-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
PubChem CID155548988
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-4-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1CCO)c1ccncc1
InChIInChI=1S/C17H16Cl2N4O2/c18-14-2-1-13(9-15(14)19)23-10-12(5-8-24)16(22-23)21-17(25)11-3-6-20-7-4-11/h1-4,6-7,9,12,24H,5,8,10H2,(H,21,22,25)
InChIKeyXHACMMNMQIKLAQ-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-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide
CID 155524466
N-(3,4-dichlorophenyl)pyridine-4-carboxamide
CID 835563
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-[(E)-[1-oxo-1-(3,4,5-trichloroanilino)propan-2-ylidene]amino]pyridine-4-carboxamide
CID 164608906
N-[(E)-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]amino]pyridine-4-carboxamide
CID 164614048
N-[(4S)-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
CID 138753299
N-[(4S)-1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)pyrazolidin-3-yl]pyridine-4-carboxamide
CID 137530130
3',4'-Dichloro-3-(isonicotinoylhydrazono)butyranilide
CID 9602549
N-[(4S)-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
CID 167200015

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide (CID 155548988) is N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide is O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1CCO)c1ccncc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide?
The InChIKey is XHACMMNMQIKLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c18-14-2-1-13(9-15(14)19)23-10-12(5-8-24)16(22-23)21-17(25)11-3-6-20-7-4-11/h1-4,6-7,9,12,24H,5,8,10H2,(H,21,22,25).
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide?
N-[2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 155548988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).