N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide

C18H16ClN5O2 — CID 87039371

IUPACN-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1cccc(Cl)c1-n1cccn1)c1ccncc1
InChIInChI=1S/C18H16ClN5O2/c1-12(13-6-9-20-10-7-13)22-17(25)18(26)23-15-5-2-4-14(19)16(15)24-11-3-8-21-24/h2-12H,1H3,(H,22,25)(H,23,26)
InChIKeyPLTHKQSXMZWTMW-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.74
Rot. Bonds4

About N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide

N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide (PubChem CID 87039371) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide
PubChem CID87039371
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC NameN-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1cccc(Cl)c1-n1cccn1)c1ccncc1
InChIInChI=1S/C18H16ClN5O2/c1-12(13-6-9-20-10-7-13)22-17(25)18(26)23-15-5-2-4-14(19)16(15)24-11-3-8-21-24/h2-12H,1H3,(H,22,25)(H,23,26)
InChIKeyPLTHKQSXMZWTMW-UHFFFAOYSA-N
XLogP2.74
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440
N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide
CID 87039522
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 103929017
N-(2-chlorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2291188
5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide
CID 104684217
N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86995830
N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide
CID 87007071
2-[2-(3-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569144
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
CID 60933767
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 107144309

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide (CID 87039371) is N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide is CC(NC(=O)C(=O)Nc1cccc(Cl)c1-n1cccn1)c1ccncc1.
What is the InChIKey of N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide?
The InChIKey is PLTHKQSXMZWTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-12(13-6-9-20-10-7-13)22-17(25)18(26)23-15-5-2-4-14(19)16(15)24-11-3-8-21-24/h2-12H,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide?
N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide has a molecular weight of 369.81 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 87039371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).