N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide

C16H16N4OS2 — CID 91888108

IUPACN-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1cccs1
InChIInChI=1S/C16H16N4OS2/c21-16(14-4-2-8-23-14)17-11-5-6-20(10-11)15-9-12(18-19-15)13-3-1-7-22-13/h1-4,7-9,11H,5-6,10H2,(H,17,21)(H,18,19)
InChIKeyVQHJSBMCCQDYPJ-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.21
Rot. Bonds4

About N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide

N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 91888108) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID91888108
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1cccs1
InChIInChI=1S/C16H16N4OS2/c21-16(14-4-2-8-23-14)17-11-5-6-20(10-11)15-9-12(18-19-15)13-3-1-7-22-13/h1-4,7-9,11H,5-6,10H2,(H,17,21)(H,18,19)
InChIKeyVQHJSBMCCQDYPJ-UHFFFAOYSA-N
XLogP3.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide (CID 91888108) is N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide is O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1cccs1.
What is the InChIKey of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is VQHJSBMCCQDYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c21-16(14-4-2-8-23-14)17-11-5-6-20(10-11)15-9-12(18-19-15)13-3-1-7-22-13/h1-4,7-9,11H,5-6,10H2,(H,17,21)(H,18,19).
What are the key properties of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91888108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).