(4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone

C12H10ClFN2O — CID 674648

IUPAC(4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone
SMILESCc1nn(C(=O)c2ccc(F)cc2)c(C)c1Cl
InChIInChI=1S/C12H10ClFN2O/c1-7-11(13)8(2)16(15-7)12(17)9-3-5-10(14)6-4-9/h3-6H,1-2H3
InChIKeyCLUWGCBBTYTHMX-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.98
Rot. Bonds1

About (4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone

(4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone (PubChem CID 674648) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is (4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone
PubChem CID674648
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name(4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone
SMILESCc1nn(C(=O)c2ccc(F)cc2)c(C)c1Cl
InChIInChI=1S/C12H10ClFN2O/c1-7-11(13)8(2)16(15-7)12(17)9-3-5-10(14)6-4-9/h3-6H,1-2H3
InChIKeyCLUWGCBBTYTHMX-UHFFFAOYSA-N
XLogP2.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 62129863
(4-chloro-3,5-dimethylpyrazol-1-yl)-(3-nitrophenyl)methanone
CID 2257691
(4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone
CID 723037
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoate
CID 19291905
[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone
CID 46269691
[3-amino-4-(5-chloro-4,6-dimethylpyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]-(4-fluorophenyl)methanone
CID 144755788
2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-fluorobenzoic acid
CID 55172318
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
CID 110279440
(7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone
CID 71457577
[4-(2-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 71812136
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]-(4-hydroxyphenyl)methanone
CID 53308940

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone (CID 674648) is (4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone is Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1Cl.
What is the InChIKey of (4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone?
The InChIKey is CLUWGCBBTYTHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-7-11(13)8(2)16(15-7)12(17)9-3-5-10(14)6-4-9/h3-6H,1-2H3.
What are the key properties of (4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone?
(4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone has a molecular weight of 252.68 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 674648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).