1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C14H16N4O2S — CID 168696993

IUPAC1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Cn2nccc2N2CC(C(N)=O)CC2=O)s1
InChIInChI=1S/C14H16N4O2S/c1-9-2-3-11(21-9)8-18-12(4-5-16-18)17-7-10(14(15)20)6-13(17)19/h2-5,10H,6-8H2,1H3,(H2,15,20)
InChIKeyFSJWNGNGGZKUJE-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.14
Rot. Bonds4

About 1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696993) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168696993
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Cn2nccc2N2CC(C(N)=O)CC2=O)s1
InChIInChI=1S/C14H16N4O2S/c1-9-2-3-11(21-9)8-18-12(4-5-16-18)17-7-10(14(15)20)6-13(17)19/h2-5,10H,6-8H2,1H3,(H2,15,20)
InChIKeyFSJWNGNGGZKUJE-UHFFFAOYSA-N
XLogP1.14
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697095
S-[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl] ethanethioate
CID 168707309
1-(1,3-oxazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698612
1-(3-amino-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696888
1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one
CID 168500602
5-oxo-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 168698340
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696905
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696772
1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690152
1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one
CID 168703987
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 168696993) is 1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(Cn2nccc2N2CC(C(N)=O)CC2=O)s1.
What is the InChIKey of 1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FSJWNGNGGZKUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-2-3-11(21-9)8-18-12(4-5-16-18)17-7-10(14(15)20)6-13(17)19/h2-5,10H,6-8H2,1H3,(H2,15,20).
What are the key properties of 1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).