(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone

C11H11ClN2OS — CID 114963805

IUPAC(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2sccc2Cl)cn1
InChIInChI=1S/C11H11ClN2OS/c1-2-4-14-7-8(6-13-14)10(15)11-9(12)3-5-16-11/h3,5-7H,2,4H2,1H3
InChIKeyLFFAQUHRKFQQQU-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.24
Rot. Bonds4

About (3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone

(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone (PubChem CID 114963805) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
PubChem CID114963805
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2sccc2Cl)cn1
InChIInChI=1S/C11H11ClN2OS/c1-2-4-14-7-8(6-13-14)10(15)11-9(12)3-5-16-11/h3,5-7H,2,4H2,1H3
InChIKeyLFFAQUHRKFQQQU-UHFFFAOYSA-N
XLogP3.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963774
(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594522
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963905
1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
CID 114963887
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952
(1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
CID 105082119
(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963832
naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 62717590
naphthalen-2-yl-(1-propylpyrazol-4-yl)methanone
CID 62715712
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone
CID 107361601
(2-bromo-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanone
CID 114885302

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone (CID 114963805) is (3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)c2sccc2Cl)cn1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone?
The InChIKey is LFFAQUHRKFQQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-2-4-14-7-8(6-13-14)10(15)11-9(12)3-5-16-11/h3,5-7H,2,4H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone?
(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone has a molecular weight of 254.74 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 114963805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).