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

C19H18FN5O2 — CID 25223977

IUPACN-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN5O2/c1-12-17(19(26)22-15-7-5-14(20)6-8-15)18(25-23-12)24-21-11-13-3-9-16(27-2)10-4-13/h3-11H,1-2H3,(H,22,26)(H2,23,24,25)/b21-11+
InChIKeyJGVYVAACDQBCKG-SRZZPIQSSA-N
MW367.38 g/mol
LogP3.56
Rot. Bonds6

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

N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 25223977) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID25223977
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC NameN-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN5O2/c1-12-17(19(26)22-15-7-5-14(20)6-8-15)18(25-23-12)24-21-11-13-3-9-16(27-2)10-4-13/h3-11H,1-2H3,(H,22,26)(H2,23,24,25)/b21-11+
InChIKeyJGVYVAACDQBCKG-SRZZPIQSSA-N
XLogP3.56
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.56
H-Bond Donors ≤ 53
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-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide
CID 25223978
4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 819077
2-(4-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 11639104
N-[5-(4-Methoxy-phenyl)-2H-pyrazol-3-yl]-4-piperidin-1-yl-butyramide
CID 25029711
N-(3-acetamidophenyl)-3-[(4-methoxyphenyl)methyldiazenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 135566453
3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 25223869
N-[(3-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 25223874
N-(3-methoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 25223974
N-(4-methoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 25224190
N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 25224191
N-(4-acetamidophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 25224192
(Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
CID 118731081

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 25223977) is N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide is COc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is JGVYVAACDQBCKG-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-12-17(19(26)22-15-7-5-14(20)6-8-15)18(25-23-12)24-21-11-13-3-9-16(27-2)10-4-13/h3-11H,1-2H3,(H,22,26)(H2,23,24,25)/b21-11+.
What are the key properties of N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25223977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).