3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide

C10H9ClN4OS — CID 3323546

IUPAC3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
SMILESNC(=O)n1nc(-c2ccc(Cl)s2)c2c1NCC2
InChIInChI=1S/C10H9ClN4OS/c11-7-2-1-6(17-7)8-5-3-4-13-9(5)15(14-8)10(12)16/h1-2,13H,3-4H2,(H2,12,16)
InChIKeyCXEXJNFSTVNPJY-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.16
Rot. Bonds1

About 3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide

3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide (PubChem CID 3323546) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
PubChem CID3323546
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
SMILESNC(=O)n1nc(-c2ccc(Cl)s2)c2c1NCC2
InChIInChI=1S/C10H9ClN4OS/c11-7-2-1-6(17-7)8-5-3-4-13-9(5)15(14-8)10(12)16/h1-2,13H,3-4H2,(H2,12,16)
InChIKeyCXEXJNFSTVNPJY-UHFFFAOYSA-N
XLogP2.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3629641
3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3659542
3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboximidamide
CID 5032847
3-naphthalen-1-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine-1-carboxamide
CID 4530775
3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide
CID 3993935
3-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4559567
3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4264877
3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine-1-carboximidamide
CID 3939622
3-(5-bromothiophen-2-yl)-1-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3694070
1-[3-(5-chlorothiophen-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 10265757
1-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4998025
3-(2,3-dichlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine-1-carbothioamide
CID 5014837

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide (CID 3323546) is 3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide is NC(=O)n1nc(-c2ccc(Cl)s2)c2c1NCC2.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
The InChIKey is CXEXJNFSTVNPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c11-7-2-1-6(17-7)8-5-3-4-13-9(5)15(14-8)10(12)16/h1-2,13H,3-4H2,(H2,12,16).
What are the key properties of 3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide has a molecular weight of 268.73 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide is sourced from PubChem (CID 3323546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).