N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide

C14H14N4OS — CID 104620359

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C14H14N4OS/c1-2-10-9-15-17-13(10)16-14(19)12-11(5-8-20-12)18-6-3-4-7-18/h3-9H,2H2,1H3,(H2,15,16,17,19)
InChIKeyBRJJGNSBIQEYGX-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.08
Rot. Bonds4

About N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 104620359) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID104620359
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C14H14N4OS/c1-2-10-9-15-17-13(10)16-14(19)12-11(5-8-20-12)18-6-3-4-7-18/h3-9H,2H2,1H3,(H2,15,16,17,19)
InChIKeyBRJJGNSBIQEYGX-UHFFFAOYSA-N
XLogP3.08
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 64792811
5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474607
N-(4-methyl-2-pyridinyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 18155731
N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65114528
N-(4-ethyl-1H-pyrazol-5-yl)-5-methylthiophene-2-carboxamide
CID 115680652
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104857152
N-(4-ethyl-1H-pyrazol-5-yl)-2-fluoropyridine-3-carboxamide
CID 114037892
N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 37397786
N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24624578

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 104620359) is N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide is CCc1cn[nH]c1NC(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is BRJJGNSBIQEYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-2-10-9-15-17-13(10)16-14(19)12-11(5-8-20-12)18-6-3-4-7-18/h3-9H,2H2,1H3,(H2,15,16,17,19).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 104620359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).