2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide

C10H12N4OS — CID 164550009

IUPAC2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide
SMILESCn1cc(CNC(=O)c2ccsc2N)cn1
InChIInChI=1S/C10H12N4OS/c1-14-6-7(5-13-14)4-12-10(15)8-2-3-16-9(8)11/h2-3,5-6H,4,11H2,1H3,(H,12,15)
InChIKeyMLAKRGVPLQSPDW-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.99
Rot. Bonds3

About 2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide

2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 164550009) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide
PubChem CID164550009
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide
SMILESCn1cc(CNC(=O)c2ccsc2N)cn1
InChIInChI=1S/C10H12N4OS/c1-14-6-7(5-13-14)4-12-10(15)8-2-3-16-9(8)11/h2-3,5-6H,4,11H2,1H3,(H,12,15)
InChIKeyMLAKRGVPLQSPDW-UHFFFAOYSA-N
XLogP0.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide (CID 164550009) is 2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide is Cn1cc(CNC(=O)c2ccsc2N)cn1.
What is the InChIKey of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is MLAKRGVPLQSPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-6-7(5-13-14)4-12-10(15)8-2-3-16-9(8)11/h2-3,5-6H,4,11H2,1H3,(H,12,15).
What are the key properties of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 164550009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).