N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

C10H12N4OS — CID 79523401

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCn1ncc(CNC(=O)c2cccs2)c1N
InChIInChI=1S/C10H12N4OS/c1-14-9(11)7(6-13-14)5-12-10(15)8-3-2-4-16-8/h2-4,6H,5,11H2,1H3,(H,12,15)
InChIKeyFBRJAAHAAKJFCO-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.99
Rot. Bonds3

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 79523401) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID79523401
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCn1ncc(CNC(=O)c2cccs2)c1N
InChIInChI=1S/C10H12N4OS/c1-14-9(11)7(6-13-14)5-12-10(15)8-3-2-4-16-8/h2-4,6H,5,11H2,1H3,(H,12,15)
InChIKeyFBRJAAHAAKJFCO-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 N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 79523401) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide is Cn1ncc(CNC(=O)c2cccs2)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is FBRJAAHAAKJFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-9(11)7(6-13-14)5-12-10(15)8-3-2-4-16-8/h2-4,6H,5,11H2,1H3,(H,12,15).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-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 N-[(5-amino-1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 79523401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).