N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide

C13H17N3OS — CID 56704292

IUPACN-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCCCc1cc(CN(C)C(=O)c2cccs2)[nH]n1
InChIInChI=1S/C13H17N3OS/c1-3-5-10-8-11(15-14-10)9-16(2)13(17)12-6-4-7-18-12/h4,6-8H,3,5,9H2,1-2H3,(H,14,15)
InChIKeyZILVOXNKOANKLG-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.70
Rot. Bonds5

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

N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 56704292) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID56704292
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCCCc1cc(CN(C)C(=O)c2cccs2)[nH]n1
InChIInChI=1S/C13H17N3OS/c1-3-5-10-8-11(15-14-10)9-16(2)13(17)12-6-4-7-18-12/h4,6-8H,3,5,9H2,1-2H3,(H,14,15)
InChIKeyZILVOXNKOANKLG-UHFFFAOYSA-N
XLogP2.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide (CID 56704292) is N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide is CCCc1cc(CN(C)C(=O)c2cccs2)[nH]n1.
What is the InChIKey of N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ZILVOXNKOANKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-5-10-8-11(15-14-10)9-16(2)13(17)12-6-4-7-18-12/h4,6-8H,3,5,9H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide?
N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 56704292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).