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

C14H17N3OS — CID 77092338

IUPACN-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2n[nH]c3c2CCC3)s1
InChIInChI=1S/C14H17N3OS/c1-9-5-6-10(19-9)7-8-15-14(18)13-11-3-2-4-12(11)16-17-13/h5-6H,2-4,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyWWHIAWZRFIZWHU-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.24
Rot. Bonds4

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

N-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 77092338) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID77092338
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2n[nH]c3c2CCC3)s1
InChIInChI=1S/C14H17N3OS/c1-9-5-6-10(19-9)7-8-15-14(18)13-11-3-2-4-12(11)16-17-13/h5-6H,2-4,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyWWHIAWZRFIZWHU-UHFFFAOYSA-N
XLogP2.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 77092338) is N-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(CCNC(=O)c2n[nH]c3c2CCC3)s1.
What is the InChIKey of N-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is WWHIAWZRFIZWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-5-6-10(19-9)7-8-15-14(18)13-11-3-2-4-12(11)16-17-13/h5-6H,2-4,7-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylthiophen-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 77092338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).