N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C14H16N4O3 — CID 5407810

IUPACN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(C)[nH]n2)c(OC)c1
InChIInChI=1S/C14H16N4O3/c1-9-6-12(17-16-9)14(19)18-15-8-10-4-5-11(20-2)7-13(10)21-3/h4-8H,1-3H3,(H,16,17)(H,18,19)/b15-8-
InChIKeyLKMJMLRVCDXJCB-NVNXTCNLSA-N
MW288.31 g/mol
LogP1.50
Rot. Bonds5

About N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 5407810) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID5407810
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(C)[nH]n2)c(OC)c1
InChIInChI=1S/C14H16N4O3/c1-9-6-12(17-16-9)14(19)18-15-8-10-4-5-11(20-2)7-13(10)21-3/h4-8H,1-3H3,(H,16,17)(H,18,19)/b15-8-
InChIKeyLKMJMLRVCDXJCB-NVNXTCNLSA-N
XLogP1.50
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 5407810) is N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is COc1ccc(/C=N\NC(=O)c2cc(C)[nH]n2)c(OC)c1.
What is the InChIKey of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is LKMJMLRVCDXJCB-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-6-12(17-16-9)14(19)18-15-8-10-4-5-11(20-2)7-13(10)21-3/h4-8H,1-3H3,(H,16,17)(H,18,19)/b15-8-.
What are the key properties of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5407810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).