(5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone

C9H8ClN3OS — CID 131048993

IUPAC(5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone
SMILESCn1ncc(C(=O)c2ccsc2Cl)c1N
InChIInChI=1S/C9H8ClN3OS/c1-13-9(11)6(4-12-13)7(14)5-2-3-15-8(5)10/h2-4H,11H2,1H3
InChIKeyLEMHFCNPUJCUBG-UHFFFAOYSA-N
MW241.70 g/mol
LogP1.95
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone

(5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone (PubChem CID 131048993) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone
PubChem CID131048993
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone
SMILESCn1ncc(C(=O)c2ccsc2Cl)c1N
InChIInChI=1S/C9H8ClN3OS/c1-13-9(11)6(4-12-13)7(14)5-2-3-15-8(5)10/h2-4H,11H2,1H3
InChIKeyLEMHFCNPUJCUBG-UHFFFAOYSA-N
XLogP1.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone
CID 65360377
(4-chlorophenyl) 5-amino-1-methylpyrazole-4-carboxylate
CID 117213683
(5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone
CID 65360215
propan-2-yl 5-amino-1-methylpyrazole-4-carboxylate
CID 52911784
(2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 130624005
5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide
CID 176657421
(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114744165
1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone
CID 65360640
(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 65360475
(5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone
CID 106651903
5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 115330850
(5-amino-1-methylpyrazol-4-yl)-ethylsulfonylmethanone
CID 117213604

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone (CID 131048993) is (5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone is Cn1ncc(C(=O)c2ccsc2Cl)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone?
The InChIKey is LEMHFCNPUJCUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c1-13-9(11)6(4-12-13)7(14)5-2-3-15-8(5)10/h2-4H,11H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone has a molecular weight of 241.70 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone is sourced from PubChem (CID 131048993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).