1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine

C8H8ClN3S — CID 130534349

IUPAC1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2sccc2Cl)n1
InChIInChI=1S/C8H8ClN3S/c9-6-2-4-13-7(6)5-12-3-1-8(10)11-12/h1-4H,5H2,(H2,10,11)
InChIKeyIPFMYTNBGLGCOP-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.23
Rot. Bonds2

About 1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine

1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine (PubChem CID 130534349) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine
PubChem CID130534349
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2sccc2Cl)n1
InChIInChI=1S/C8H8ClN3S/c9-6-2-4-13-7(6)5-12-3-1-8(10)11-12/h1-4H,5H2,(H2,10,11)
InChIKeyIPFMYTNBGLGCOP-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine (CID 130534349) is 1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine is Nc1ccn(Cc2sccc2Cl)n1.
What is the InChIKey of 1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
The InChIKey is IPFMYTNBGLGCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c9-6-2-4-13-7(6)5-12-3-1-8(10)11-12/h1-4H,5H2,(H2,10,11).
What are the key properties of 1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine has a molecular weight of 213.69 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorothiophen-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 130534349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).