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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Related Compounds

N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809080
N,1-dimethyl-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 177680101
1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38026625
N,N-diethyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53581339
[4-(Fluoromethyl)piperidin-1-yl]-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 137993502
1-methyl-N-(propan-2-yl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 2809079
1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809081
(3,5-Dimethylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 45869081
1-Methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide
CID 10856887
N-cyclooctyl-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 38006853
1-Methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43244732
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 31852382

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).