3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide

C20H22N6O2 — CID 25223871

IUPAC3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C20H22N6O2/c1-14-18(20(27)22-11-9-15-4-3-10-21-12-15)19(26-24-14)25-23-13-16-5-7-17(28-2)8-6-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,27)(H2,24,25,26)/b23-13+
InChIKeyWRZSIOZIRUBDPY-YDZHTSKRSA-N
MW378.44 g/mol
LogP2.54
Rot. Bonds8

About 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide

3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 25223871) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID25223871
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C20H22N6O2/c1-14-18(20(27)22-11-9-15-4-3-10-21-12-15)19(26-24-14)25-23-13-16-5-7-17(28-2)8-6-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,27)(H2,24,25,26)/b23-13+
InChIKeyWRZSIOZIRUBDPY-YDZHTSKRSA-N
XLogP2.54
TPSA104.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide (CID 25223871) is 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide is COc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)NCCc2cccnc2)cc1.
What is the InChIKey of 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WRZSIOZIRUBDPY-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14-18(20(27)22-11-9-15-4-3-10-21-12-15)19(26-24-14)25-23-13-16-5-7-17(28-2)8-6-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,27)(H2,24,25,26)/b23-13+.
What are the key properties of 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide?
3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25223871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).