5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide

C16H13ClFN3O2 — CID 27649949

IUPAC5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccco1
InChIInChI=1S/C16H13ClFN3O2/c1-10-14(16(22)19-9-13-3-2-8-23-13)15(17)21(20-10)12-6-4-11(18)5-7-12/h2-8H,9H2,1H3,(H,19,22)
InChIKeyALMUSTBJOINGNR-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.50
Rot. Bonds4

About 5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide (PubChem CID 27649949) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
PubChem CID27649949
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccco1
InChIInChI=1S/C16H13ClFN3O2/c1-10-14(16(22)19-9-13-3-2-8-23-13)15(17)21(20-10)12-6-4-11(18)5-7-12/h2-8H,9H2,1H3,(H,19,22)
InChIKeyALMUSTBJOINGNR-UHFFFAOYSA-N
XLogP3.50
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide
CID 42820294
5-chloro-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55664571
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835761
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78813095
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 44762282
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 30823116
5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 55370769
5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
CID 51187032
N-(1-adamantylmethyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8923689
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55717591

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide (CID 27649949) is 5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccco1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is ALMUSTBJOINGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c1-10-14(16(22)19-9-13-3-2-8-23-13)15(17)21(20-10)12-6-4-11(18)5-7-12/h2-8H,9H2,1H3,(H,19,22).
What are the key properties of 5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide?
5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 333.75 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 27649949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).