(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone

C11H9BrCl2N2OS — CID 107967808

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCC(C)n1ncc(Br)c1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H9BrCl2N2OS/c1-5(2)16-9(7(12)4-15-16)10(17)6-3-8(13)18-11(6)14/h3-5H,1-2H3
InChIKeyLITQPMFCZXTZPN-UHFFFAOYSA-N
MW368.08 g/mol
LogP4.83
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 107967808) has the molecular formula C11H9BrCl2N2OS and a molecular weight of 368.08 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID107967808
Molecular FormulaC11H9BrCl2N2OS
Molecular Weight368.08 g/mol
Exact Mass365.90
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCC(C)n1ncc(Br)c1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H9BrCl2N2OS/c1-5(2)16-9(7(12)4-15-16)10(17)6-3-8(13)18-11(6)14/h3-5H,1-2H3
InChIKeyLITQPMFCZXTZPN-UHFFFAOYSA-N
XLogP4.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.08
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115805489
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107967806
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 115805300
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromophenyl)methanone
CID 107977405
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103407932
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-iodothiophen-3-yl)methanone
CID 115805479
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 105130816
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105130889
(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639812
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967804
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-chloro-2,2-difluoroethanone
CID 114642269
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130796

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone (CID 107967808) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone is CC(C)n1ncc(Br)c1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is LITQPMFCZXTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2OS/c1-5(2)16-9(7(12)4-15-16)10(17)6-3-8(13)18-11(6)14/h3-5H,1-2H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 368.08 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 107967808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).