N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

C9H9N3OS — CID 43074245

IUPACN-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCn1cc(NC(=O)c2ccsc2)cn1
InChIInChI=1S/C9H9N3OS/c1-12-5-8(4-10-12)11-9(13)7-2-3-14-6-7/h2-6H,1H3,(H,11,13)
InChIKeyWGNKSMSHSWDFAY-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.73
Rot. Bonds2

About N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (PubChem CID 43074245) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
PubChem CID43074245
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC NameN-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCn1cc(NC(=O)c2ccsc2)cn1
InChIInChI=1S/C9H9N3OS/c1-12-5-8(4-10-12)11-9(13)7-2-3-14-6-7/h2-6H,1H3,(H,11,13)
InChIKeyWGNKSMSHSWDFAY-UHFFFAOYSA-N
XLogP1.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (CID 43074245) is N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is Cn1cc(NC(=O)c2ccsc2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The InChIKey is WGNKSMSHSWDFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-12-5-8(4-10-12)11-9(13)7-2-3-14-6-7/h2-6H,1H3,(H,11,13).
What are the key properties of N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide has a molecular weight of 207.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 43074245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).