N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide

C18H14ClN5O — CID 55728999

IUPACN-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccccc2-n2cccn2)cc1Cl
InChIInChI=1S/C18H14ClN5O/c19-15-10-14(7-6-13(15)11-20)23-18(25)12-21-16-4-1-2-5-17(16)24-9-3-8-22-24/h1-10,21H,12H2,(H,23,25)
InChIKeyFGVVJYQDSGPAQZ-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.45
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide

N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide (PubChem CID 55728999) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide
PubChem CID55728999
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccccc2-n2cccn2)cc1Cl
InChIInChI=1S/C18H14ClN5O/c19-15-10-14(7-6-13(15)11-20)23-18(25)12-21-16-4-1-2-5-17(16)24-9-3-8-22-24/h1-10,21H,12H2,(H,23,25)
InChIKeyFGVVJYQDSGPAQZ-UHFFFAOYSA-N
XLogP3.45
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55897440
N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 18278497
2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55893081
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide
CID 55919142
N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536925
N-(3-chloro-4-cyanophenyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586008
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
N-(3-chloro-4-cyanophenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6418609
N-(3-chloro-4-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741182
N-(2-acetylphenyl)-2-(5-chloro-2-pyrazol-1-ylanilino)acetamide
CID 55919271
N-(3-chloro-4-cyanophenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7817801

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide (CID 55728999) is N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide is N#Cc1ccc(NC(=O)CNc2ccccc2-n2cccn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide?
The InChIKey is FGVVJYQDSGPAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c19-15-10-14(7-6-13(15)11-20)23-18(25)12-21-16-4-1-2-5-17(16)24-9-3-8-22-24/h1-10,21H,12H2,(H,23,25).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide has a molecular weight of 351.80 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide is sourced from PubChem (CID 55728999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).