(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone

C14H13BrF2N2O2 — CID 115804609

IUPAC(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
SMILESCCCn1ncc(Br)c1C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H13BrF2N2O2/c1-2-6-19-12(11(15)8-18-19)13(20)9-4-3-5-10(7-9)21-14(16)17/h3-5,7-8,14H,2,6H2,1H3
InChIKeyWXTGVVAAOBYWFJ-UHFFFAOYSA-N
MW359.17 g/mol
LogP3.89
Rot. Bonds6

About (4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone

(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone (PubChem CID 115804609) has the molecular formula C14H13BrF2N2O2 and a molecular weight of 359.17 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
PubChem CID115804609
Molecular FormulaC14H13BrF2N2O2
Molecular Weight359.17 g/mol
Exact Mass358.01
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
SMILESCCCn1ncc(Br)c1C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H13BrF2N2O2/c1-2-6-19-12(11(15)8-18-19)13(20)9-4-3-5-10(7-9)21-14(16)17/h3-5,7-8,14H,2,6H2,1H3
InChIKeyWXTGVVAAOBYWFJ-UHFFFAOYSA-N
XLogP3.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethoxyphenyl)methanone
CID 114638798
(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone
CID 115815063
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 19296446
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641947
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115804628
(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503
(2-amino-5-methoxyphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114670773
(3-aminophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668097
(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130506
(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 114638877

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone (CID 115804609) is (4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone is CCCn1ncc(Br)c1C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone?
The InChIKey is WXTGVVAAOBYWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O2/c1-2-6-19-12(11(15)8-18-19)13(20)9-4-3-5-10(7-9)21-14(16)17/h3-5,7-8,14H,2,6H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone?
(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone has a molecular weight of 359.17 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 115804609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).