N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide

C19H17ClN4O — CID 9143206

IUPACN-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O/c1-14(25)22-21-11-17-13-24(12-15-5-3-2-4-6-15)23-19(17)16-7-9-18(20)10-8-16/h2-11,13H,12H2,1H3,(H,22,25)/b21-11-
InChIKeyIRBUCRBKRIMGLD-NHDPSOOVSA-N
MW352.83 g/mol
LogP3.72
Rot. Bonds5

About N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide

N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide (PubChem CID 9143206) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
PubChem CID9143206
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O/c1-14(25)22-21-11-17-13-24(12-15-5-3-2-4-6-15)23-19(17)16-7-9-18(20)10-8-16/h2-11,13H,12H2,1H3,(H,22,25)/b21-11-
InChIKeyIRBUCRBKRIMGLD-NHDPSOOVSA-N
XLogP3.72
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9147632
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
CID 9074309
N'-[(Z)-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351858
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 4504148
3-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid
CID 4961816
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 4504151
N-[(Z)-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 9231529
N-[[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 4505031
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide
CID 9175064
N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 9142622
N-[(Z)-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 9175450
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
CID 9236811

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide?
The IUPAC name of N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide (CID 9143206) is N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide is CC(=O)N/N=C\c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide?
The InChIKey is IRBUCRBKRIMGLD-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-14(25)22-21-11-17-13-24(12-15-5-3-2-4-6-15)23-19(17)16-7-9-18(20)10-8-16/h2-11,13H,12H2,1H3,(H,22,25)/b21-11-.
What are the key properties of N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide?
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide has a molecular weight of 352.83 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide is sourced from PubChem (CID 9143206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).