(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone

C11H8Cl2N2O — CID 65195527

IUPAC(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H8Cl2N2O/c1-15-5-4-10(14-15)11(16)8-6-7(12)2-3-9(8)13/h2-6H,1H3
InChIKeyWLLVNPMPFXRKCV-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.96
Rot. Bonds2

About (2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone

(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 65195527) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
PubChem CID65195527
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H8Cl2N2O/c1-15-5-4-10(14-15)11(16)8-6-7(12)2-3-9(8)13/h2-6H,1H3
InChIKeyWLLVNPMPFXRKCV-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 65195804
N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 59788580
(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105095285
(2-iodophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133832
[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 107501668
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 106761788
(2-methoxy-5-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195748
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 103133703
(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103130515
(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133443
5-chloro-2-(1-methylpyrazole-3-carbonyl)-2,3-dihydroinden-1-one
CID 103119454
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone (CID 65195527) is (2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of (2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is WLLVNPMPFXRKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-15-5-4-10(14-15)11(16)8-6-7(12)2-3-9(8)13/h2-6H,1H3.
What are the key properties of (2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone?
(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone has a molecular weight of 255.10 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 65195527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).