4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide

C10H11N3OS — CID 79777719

IUPAC4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H11N3OS/c1-7-5-15-6-9(7)10(14)11-4-8-2-3-12-13-8/h2-3,5-6H,4H2,1H3,(H,11,14)(H,12,13)
InChIKeyWLDYFPAEJXSSKT-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.71
Rot. Bonds3

About 4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide

4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide (PubChem CID 79777719) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
PubChem CID79777719
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H11N3OS/c1-7-5-15-6-9(7)10(14)11-4-8-2-3-12-13-8/h2-3,5-6H,4H2,1H3,(H,11,14)(H,12,13)
InChIKeyWLDYFPAEJXSSKT-UHFFFAOYSA-N
XLogP1.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1H-pyrazol-5-ylmethyl)furan-3-carboxamide
CID 47285848
4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
CID 47235838
2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114344962
2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61285252
3-amino-5-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114011349
5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazine-2-carboxamide
CID 47285811
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid
CID 81317829
3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
CID 60975575
1-hydroxy-N-(1H-pyrazol-5-ylmethyl)naphthalene-2-carboxamide
CID 60975854
2,3,5-triiodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 63404576
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084054

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide (CID 79777719) is 4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide is Cc1cscc1C(=O)NCc1ccn[nH]1.
What is the InChIKey of 4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide?
The InChIKey is WLDYFPAEJXSSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-5-15-6-9(7)10(14)11-4-8-2-3-12-13-8/h2-3,5-6H,4H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide?
4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide has a molecular weight of 221.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79777719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).