5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine

C10H13N3S — CID 94347044

IUPAC5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine
SMILESCc1cc(N)n([C@@H](C)c2ccsc2)n1
InChIInChI=1S/C10H13N3S/c1-7-5-10(11)13(12-7)8(2)9-3-4-14-6-9/h3-6,8H,11H2,1-2H3/t8-/m0/s1
InChIKeyHJHVTWWAJUSXFW-QMMMGPOBSA-N
MW207.30 g/mol
LogP2.44
Rot. Bonds2

About 5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine

5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine (PubChem CID 94347044) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine
PubChem CID94347044
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine
SMILESCc1cc(N)n([C@@H](C)c2ccsc2)n1
InChIInChI=1S/C10H13N3S/c1-7-5-10(11)13(12-7)8(2)9-3-4-14-6-9/h3-6,8H,11H2,1-2H3/t8-/m0/s1
InChIKeyHJHVTWWAJUSXFW-QMMMGPOBSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine (CID 94347044) is 5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine is Cc1cc(N)n([C@@H](C)c2ccsc2)n1.
What is the InChIKey of 5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine?
The InChIKey is HJHVTWWAJUSXFW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-5-10(11)13(12-7)8(2)9-3-4-14-6-9/h3-6,8H,11H2,1-2H3/t8-/m0/s1.
What are the key properties of 5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine?
5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine has a molecular weight of 207.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine is sourced from PubChem (CID 94347044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).