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

C12H14N2OS — CID 114963774

IUPAC(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2sccc2C)cn1
InChIInChI=1S/C12H14N2OS/c1-3-5-14-8-10(7-13-14)11(15)12-9(2)4-6-16-12/h4,6-8H,3,5H2,1-2H3
InChIKeyYTTWCQMDTCVBNX-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.89
Rot. Bonds4

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

(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone (PubChem CID 114963774) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
PubChem CID114963774
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2sccc2C)cn1
InChIInChI=1S/C12H14N2OS/c1-3-5-14-8-10(7-13-14)11(15)12-9(2)4-6-16-12/h4,6-8H,3,5H2,1-2H3
InChIKeyYTTWCQMDTCVBNX-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963805
(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594522
(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 81274285
(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963861
1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
CID 114963887
(2-bromo-4-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963862
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
(2-bromo-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanone
CID 114885302
(1-propylpyrazol-4-yl)-quinolin-2-ylmethanone
CID 63222879
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of (3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone (CID 114963774) is (3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)c2sccc2C)cn1.
What is the InChIKey of (3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone?
The InChIKey is YTTWCQMDTCVBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-5-14-8-10(7-13-14)11(15)12-9(2)4-6-16-12/h4,6-8H,3,5H2,1-2H3.
What are the key properties of (3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone?
(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone has a molecular weight of 234.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 114963774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).