N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C13H15N3OS — CID 119074256

IUPACN-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c3c2CCC3)s1
InChIInChI=1S/C13H15N3OS/c1-8-5-6-9(18-8)7-14-13(17)12-10-3-2-4-11(10)15-16-12/h5-6H,2-4,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyBKTYZCCPCPIWPJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.20
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 119074256) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID119074256
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c3c2CCC3)s1
InChIInChI=1S/C13H15N3OS/c1-8-5-6-9(18-8)7-14-13(17)12-10-3-2-4-11(10)15-16-12/h5-6H,2-4,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyBKTYZCCPCPIWPJ-UHFFFAOYSA-N
XLogP2.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 119074256) is N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(CNC(=O)c2n[nH]c3c2CCC3)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is BKTYZCCPCPIWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-5-6-9(18-8)7-14-13(17)12-10-3-2-4-11(10)15-16-12/h5-6H,2-4,7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 119074256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).