N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide

C12H13N3OS — CID 30859087

IUPACN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nc2c(c1NC(=O)c1cccs1)CCC2
InChIInChI=1S/C12H13N3OS/c1-15-11(8-4-2-5-9(8)14-15)13-12(16)10-6-3-7-17-10/h3,6-7H,2,4-5H2,1H3,(H,13,16)
InChIKeyBNKVDRWMFOZJAP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.22
Rot. Bonds2

About N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide

N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 30859087) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide
PubChem CID30859087
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nc2c(c1NC(=O)c1cccs1)CCC2
InChIInChI=1S/C12H13N3OS/c1-15-11(8-4-2-5-9(8)14-15)13-12(16)10-6-3-7-17-10/h3,6-7H,2,4-5H2,1H3,(H,13,16)
InChIKeyBNKVDRWMFOZJAP-UHFFFAOYSA-N
XLogP2.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide (CID 30859087) is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide is Cn1nc2c(c1NC(=O)c1cccs1)CCC2.
What is the InChIKey of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is BNKVDRWMFOZJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15-11(8-4-2-5-9(8)14-15)13-12(16)10-6-3-7-17-10/h3,6-7H,2,4-5H2,1H3,(H,13,16).
What are the key properties of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide?
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 30859087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).