(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone

C11H10BrClN2OS — CID 115805645

IUPAC(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1sccc1Br
InChIInChI=1S/C11H10BrClN2OS/c1-2-4-15-9(8(13)6-14-15)10(16)11-7(12)3-5-17-11/h3,5-6H,2,4H2,1H3
InChIKeyUDFNIOUSDOGNBP-UHFFFAOYSA-N
MW333.64 g/mol
LogP4.00
Rot. Bonds4

About (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone

(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone (PubChem CID 115805645) has the molecular formula C11H10BrClN2OS and a molecular weight of 333.64 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
PubChem CID115805645
Molecular FormulaC11H10BrClN2OS
Molecular Weight333.64 g/mol
Exact Mass331.94
IUPAC Name(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1sccc1Br
InChIInChI=1S/C11H10BrClN2OS/c1-2-4-15-9(8(13)6-14-15)10(16)11-7(12)3-5-17-11/h3,5-6H,2,4H2,1H3
InChIKeyUDFNIOUSDOGNBP-UHFFFAOYSA-N
XLogP4.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107996709
(4-amino-3-bromophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669787
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114642895
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637483
1-(4-chloro-1-propylpyrazol-5-yl)-2-(dimethylamino)-2-methylpropan-1-one
CID 114641062
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 114640551
(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
CID 114642103
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
CID 114639545

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone (CID 115805645) is (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone is CCCn1ncc(Cl)c1C(=O)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The InChIKey is UDFNIOUSDOGNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2OS/c1-2-4-15-9(8(13)6-14-15)10(16)11-7(12)3-5-17-11/h3,5-6H,2,4H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone has a molecular weight of 333.64 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 115805645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).