N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide

C13H17N3OS — CID 47000181

IUPACN-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide
SMILESCCCCn1ncc(C)c1NC(=O)c1ccsc1
InChIInChI=1S/C13H17N3OS/c1-3-4-6-16-12(10(2)8-14-16)15-13(17)11-5-7-18-9-11/h5,7-9H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyGPBTWPNNGAPXPI-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.31
Rot. Bonds5

About N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide

N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide (PubChem CID 47000181) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide
PubChem CID47000181
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide
SMILESCCCCn1ncc(C)c1NC(=O)c1ccsc1
InChIInChI=1S/C13H17N3OS/c1-3-4-6-16-12(10(2)8-14-16)15-13(17)11-5-7-18-9-11/h5,7-9H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyGPBTWPNNGAPXPI-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide?
The IUPAC name of N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide (CID 47000181) is N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide is CCCCn1ncc(C)c1NC(=O)c1ccsc1.
What is the InChIKey of N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide?
The InChIKey is GPBTWPNNGAPXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-4-6-16-12(10(2)8-14-16)15-13(17)11-5-7-18-9-11/h5,7-9H,3-4,6H2,1-2H3,(H,15,17).
What are the key properties of N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide?
N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-4-methylpyrazol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 47000181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).