N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C17H24N4OS — CID 71993586

IUPACN-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCSC1CCC(N(C)C(=O)c2cnn(C)c2-n2cccc2)C1
InChIInChI=1S/C17H24N4OS/c1-4-23-14-8-7-13(11-14)19(2)17(22)15-12-18-20(3)16(15)21-9-5-6-10-21/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3
InChIKeyVWYNXVXRPZNLFA-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.96
Rot. Bonds5

About N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 71993586) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID71993586
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCSC1CCC(N(C)C(=O)c2cnn(C)c2-n2cccc2)C1
InChIInChI=1S/C17H24N4OS/c1-4-23-14-8-7-13(11-14)19(2)17(22)15-12-18-20(3)16(15)21-9-5-6-10-21/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3
InChIKeyVWYNXVXRPZNLFA-UHFFFAOYSA-N
XLogP2.96
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 71993586) is N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CCSC1CCC(N(C)C(=O)c2cnn(C)c2-n2cccc2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is VWYNXVXRPZNLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-4-23-14-8-7-13(11-14)19(2)17(22)15-12-18-20(3)16(15)21-9-5-6-10-21/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 71993586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).