N-methyl-1H-thieno[2,3-d]pyrazol-5-amine

C6H7N3S — CID 162432903

IUPACN-methyl-1H-thieno[2,3-d]pyrazol-5-amine
SMILESCNc1cc2[nH]ncc2s1
InChIInChI=1S/C6H7N3S/c1-7-6-2-4-5(10-6)3-8-9-4/h2-3,7H,1H3,(H,8,9)
InChIKeyHIPGTMCSKXKICP-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.67
Rot. Bonds1

About N-methyl-1H-thieno[2,3-d]pyrazol-5-amine

N-methyl-1H-thieno[2,3-d]pyrazol-5-amine (PubChem CID 162432903) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is N-methyl-1H-thieno[2,3-d]pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-1H-thieno[2,3-d]pyrazol-5-amine
PubChem CID162432903
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC NameN-methyl-1H-thieno[2,3-d]pyrazol-5-amine
SMILESCNc1cc2[nH]ncc2s1
InChIInChI=1S/C6H7N3S/c1-7-6-2-4-5(10-6)3-8-9-4/h2-3,7H,1H3,(H,8,9)
InChIKeyHIPGTMCSKXKICP-UHFFFAOYSA-N
XLogP1.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-thieno[2,3-d]pyrazol-5-amine?
The IUPAC name of N-methyl-1H-thieno[2,3-d]pyrazol-5-amine (CID 162432903) is N-methyl-1H-thieno[2,3-d]pyrazol-5-amine.
What is the SMILES notation for N-methyl-1H-thieno[2,3-d]pyrazol-5-amine?
The canonical SMILES for N-methyl-1H-thieno[2,3-d]pyrazol-5-amine is CNc1cc2[nH]ncc2s1.
What is the InChIKey of N-methyl-1H-thieno[2,3-d]pyrazol-5-amine?
The InChIKey is HIPGTMCSKXKICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c1-7-6-2-4-5(10-6)3-8-9-4/h2-3,7H,1H3,(H,8,9).
What are the key properties of N-methyl-1H-thieno[2,3-d]pyrazol-5-amine?
N-methyl-1H-thieno[2,3-d]pyrazol-5-amine has a molecular weight of 153.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-thieno[2,3-d]pyrazol-5-amine is sourced from PubChem (CID 162432903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).