5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide

C16H13ClFN5O2 — CID 78813095

IUPAC5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C16H13ClFN5O2/c1-9-13(16(25)21-20-15(24)12-3-2-8-19-12)14(17)23(22-9)11-6-4-10(18)5-7-11/h2-8,19H,1H3,(H,20,24)(H,21,25)
InChIKeyUUZJHLWLPNFMMX-UHFFFAOYSA-N
MW361.76 g/mol
LogP2.38
Rot. Bonds3

About 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide

5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide (PubChem CID 78813095) has the molecular formula C16H13ClFN5O2 and a molecular weight of 361.76 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
PubChem CID78813095
Molecular FormulaC16H13ClFN5O2
Molecular Weight361.76 g/mol
Exact Mass361.07
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C16H13ClFN5O2/c1-9-13(16(25)21-20-15(24)12-3-2-8-19-12)14(17)23(22-9)11-6-4-10(18)5-7-11/h2-8,19H,1H3,(H,20,24)(H,21,25)
InChIKeyUUZJHLWLPNFMMX-UHFFFAOYSA-N
XLogP2.38
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N'-[3-(dimethylamino)benzoyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide
CID 27606125
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide
CID 27568317
5-chloro-1-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 27699924
5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 27649949
N'-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 27563575
N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 26246659
5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9097679
N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide
CID 26258595
5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 43003708
N-[4-(4-benzylpiperazin-1-yl)butyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55933785
N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide
CID 78812955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide (CID 78813095) is 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)c1ccc[nH]1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide?
The InChIKey is UUZJHLWLPNFMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O2/c1-9-13(16(25)21-20-15(24)12-3-2-8-19-12)14(17)23(22-9)11-6-4-10(18)5-7-11/h2-8,19H,1H3,(H,20,24)(H,21,25).
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide?
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide has a molecular weight of 361.76 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 78813095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).