N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide

C11H13N3OS — CID 43074999

IUPACN-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1ccsc1
InChIInChI=1S/C11H13N3OS/c1-9(7-14-5-2-4-12-14)13-11(15)10-3-6-16-8-10/h2-6,8-9H,7H2,1H3,(H,13,15)
InChIKeyRVBZBPHVRFZKON-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.76
Rot. Bonds4

About N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide

N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide (PubChem CID 43074999) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
PubChem CID43074999
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1ccsc1
InChIInChI=1S/C11H13N3OS/c1-9(7-14-5-2-4-12-14)13-11(15)10-3-6-16-8-10/h2-6,8-9H,7H2,1H3,(H,13,15)
InChIKeyRVBZBPHVRFZKON-UHFFFAOYSA-N
XLogP1.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide?
The IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide (CID 43074999) is N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide is CC(Cn1cccn1)NC(=O)c1ccsc1.
What is the InChIKey of N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide?
The InChIKey is RVBZBPHVRFZKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-9(7-14-5-2-4-12-14)13-11(15)10-3-6-16-8-10/h2-6,8-9H,7H2,1H3,(H,13,15).
What are the key properties of N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide?
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 43074999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).