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

C18H21N7O2 — CID 25223872

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H21N7O2/c1-12-16(18(26)20-8-7-14-10-19-11-21-14)17(25-23-12)24-22-9-13-3-5-15(27-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)(H,20,26)(H2,23,24,25)/b22-9+
InChIKeySTCQVEWHVZVJQS-LSFURLLWSA-N
MW367.41 g/mol
LogP1.87
Rot. Bonds8

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

N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 25223872) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID25223872
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H21N7O2/c1-12-16(18(26)20-8-7-14-10-19-11-21-14)17(25-23-12)24-22-9-13-3-5-15(27-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)(H,20,26)(H2,23,24,25)/b22-9+
InChIKeySTCQVEWHVZVJQS-LSFURLLWSA-N
XLogP1.87
TPSA120.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.87
H-Bond Donors ≤ 54
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-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 25223872) is N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide is COc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is STCQVEWHVZVJQS-LSFURLLWSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-12-16(18(26)20-8-7-14-10-19-11-21-14)17(25-23-12)24-22-9-13-3-5-15(27-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)(H,20,26)(H2,23,24,25)/b22-9+.
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.87, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25223872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).