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

C23H24N6O2 — CID 25224082

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H24N6O2/c1-15-21(22(29-27-15)28-26-13-16-7-9-18(31-2)10-8-16)23(30)24-12-11-17-14-25-20-6-4-3-5-19(17)20/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,30)(H2,27,28,29)/b26-13+
InChIKeyLPKFQRWENWIWJE-LGJNPRDNSA-N
MW416.49 g/mol
LogP3.63
Rot. Bonds8

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

N-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 25224082) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID25224082
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H24N6O2/c1-15-21(22(29-27-15)28-26-13-16-7-9-18(31-2)10-8-16)23(30)24-12-11-17-14-25-20-6-4-3-5-19(17)20/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,30)(H2,27,28,29)/b26-13+
InChIKeyLPKFQRWENWIWJE-LGJNPRDNSA-N
XLogP3.63
TPSA107.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.63
H-Bond Donors ≤ 54
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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Related Compounds

CID 52935059
CID 52935059
CID 52935715
CID 52935715
CID 52935926
CID 52935926
CID 57396000
CID 57396000
CID 57400298
CID 57400298
CID 57401230
CID 57401230
CID 57402100
CID 57402100
CID 57402101
CID 57402101
CID 52934146
CID 52934146
CID 52935717
CID 52935717
CID 57392519
CID 57392519
CID 57394244
CID 57394244

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 25224082) is N-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-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)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is LPKFQRWENWIWJE-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-21(22(29-27-15)28-26-13-16-7-9-18(31-2)10-8-16)23(30)24-12-11-17-14-25-20-6-4-3-5-19(17)20/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,30)(H2,27,28,29)/b26-13+.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25224082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).