5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine

C8H8ClN3S — CID 62276882

IUPAC5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1ccc(Cl)s1
InChIInChI=1S/C8H8ClN3S/c1-4-7(11-12-8(4)10)5-2-3-6(9)13-5/h2-3H,1H3,(H3,10,11,12)
InChIKeyZZFBZACZIODTSZ-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.68
Rot. Bonds1

About 5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine

5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine (PubChem CID 62276882) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine
PubChem CID62276882
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1ccc(Cl)s1
InChIInChI=1S/C8H8ClN3S/c1-4-7(11-12-8(4)10)5-2-3-6(9)13-5/h2-3H,1H3,(H3,10,11,12)
InChIKeyZZFBZACZIODTSZ-UHFFFAOYSA-N
XLogP2.68
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine (CID 62276882) is 5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine is Cc1c(N)n[nH]c1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine?
The InChIKey is ZZFBZACZIODTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c1-4-7(11-12-8(4)10)5-2-3-6(9)13-5/h2-3H,1H3,(H3,10,11,12).
What are the key properties of 5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine?
5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine has a molecular weight of 213.69 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 62276882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).