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

C21H23N5O3 — CID 25223874

IUPACN-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C21H23N5O3/c1-14-19(21(27)22-12-16-5-4-6-18(11-16)29-3)20(26-24-14)25-23-13-15-7-9-17(28-2)10-8-15/h4-11,13H,12H2,1-3H3,(H,22,27)(H2,24,25,26)/b23-13+
InChIKeyCWTQLPARGRCVGO-YDZHTSKRSA-N
MW393.45 g/mol
LogP3.11
Rot. Bonds8

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

N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 25223874) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID25223874
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C21H23N5O3/c1-14-19(21(27)22-12-16-5-4-6-18(11-16)29-3)20(26-24-14)25-23-13-15-7-9-17(28-2)10-8-15/h4-11,13H,12H2,1-3H3,(H,22,27)(H2,24,25,26)/b23-13+
InChIKeyCWTQLPARGRCVGO-YDZHTSKRSA-N
XLogP3.11
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.11
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 N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 25223874) is N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide is COc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)NCc2cccc(OC)c2)cc1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is CWTQLPARGRCVGO-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14-19(21(27)22-12-16-5-4-6-18(11-16)29-3)20(26-24-14)25-23-13-15-7-9-17(28-2)10-8-15/h4-11,13H,12H2,1-3H3,(H,22,27)(H2,24,25,26)/b23-13+.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25223874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).