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

C20H21N5O2 — CID 25223870

IUPAC3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-18(20(26)25(2)16-7-5-4-6-8-16)19(24-22-14)23-21-13-15-9-11-17(27-3)12-10-15/h4-13H,1-3H3,(H2,22,23,24)/b21-13+
InChIKeyFMLPPXXQMXJONO-FYJGNVAPSA-N
MW363.42 g/mol
LogP3.45
Rot. Bonds6

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

3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 25223870) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID25223870
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-18(20(26)25(2)16-7-5-4-6-8-16)19(24-22-14)23-21-13-15-9-11-17(27-3)12-10-15/h4-13H,1-3H3,(H2,22,23,24)/b21-13+
InChIKeyFMLPPXXQMXJONO-FYJGNVAPSA-N
XLogP3.45
TPSA82.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.45
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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Related Compounds

N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 25223977
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750
ethyl 5-methyl-3-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-pyrazole-4-carboxylate
CID 2731845
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
ethyl 3-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxylate
CID 2729923
3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine
CID 53357332
[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 42901512
3-(4-methoxyphenyl)-N-[(E)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6890817
4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7824518
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8878410

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide (CID 25223870) is 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide is COc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is FMLPPXXQMXJONO-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-18(20(26)25(2)16-7-5-4-6-8-16)19(24-22-14)23-21-13-15-9-11-17(27-3)12-10-15/h4-13H,1-3H3,(H2,22,23,24)/b21-13+.
What are the key properties of 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25223870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).