(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone

C13H12BrClN2O — CID 114639691

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccccc1Cl
InChIInChI=1S/C13H12BrClN2O/c1-2-7-17-12(10(14)8-16-17)13(18)9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3
InChIKeyPMGPUFYYWJJKSS-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.94
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone

(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone (PubChem CID 114639691) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
PubChem CID114639691
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccccc1Cl
InChIInChI=1S/C13H12BrClN2O/c1-2-7-17-12(10(14)8-16-17)13(18)9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3
InChIKeyPMGPUFYYWJJKSS-UHFFFAOYSA-N
XLogP3.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(2,4-dichlorophenyl)methanone
CID 115804491
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125364
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-amino-3,5-dichlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114671119
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802906
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107996709
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114894379
(2-amino-5-methoxyphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114670773
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-ethylphenyl)methanone
CID 115804085
(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone (CID 114639691) is (4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone is CCCn1ncc(Br)c1C(=O)c1ccccc1Cl.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone?
The InChIKey is PMGPUFYYWJJKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-2-7-17-12(10(14)8-16-17)13(18)9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone has a molecular weight of 327.61 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 114639691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).