methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate

C19H17FN4O2 — CID 9075377

IUPACmethyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C19H17FN4O2/c1-13-3-5-14(6-4-13)18-15(11-21-22-19(25)26-2)12-24(23-18)17-9-7-16(20)8-10-17/h3-12H,1-2H3,(H,22,25)/b21-11-
InChIKeyACLYMWPQIWHGHK-NHDPSOOVSA-N
MW352.37 g/mol
LogP3.68
Rot. Bonds4

About methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate

methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate (PubChem CID 9075377) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate
PubChem CID9075377
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Namemethyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C19H17FN4O2/c1-13-3-5-14(6-4-13)18-15(11-21-22-19(25)26-2)12-24(23-18)17-9-7-16(20)8-10-17/h3-12H,1-2H3,(H,22,25)/b21-11-
InChIKeyACLYMWPQIWHGHK-NHDPSOOVSA-N
XLogP3.68
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
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

methyl N-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]carbamate
CID 9075461
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
2-(2-methoxyphenoxy)-N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
CID 5456741
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9073073
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6024301
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
2-bromo-N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6897229
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
CID 6175980
N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tridecanamide
CID 2856899
N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 9352555

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate (CID 9075377) is methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate is COC(=O)N/N=C\c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1.
What is the InChIKey of methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate?
The InChIKey is ACLYMWPQIWHGHK-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-13-3-5-14(6-4-13)18-15(11-21-22-19(25)26-2)12-24(23-18)17-9-7-16(20)8-10-17/h3-12H,1-2H3,(H,22,25)/b21-11-.
What are the key properties of methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate?
methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate has a molecular weight of 352.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate is sourced from PubChem (CID 9075377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).