1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine

C8H8ClN3S — CID 60783078

IUPAC1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2ccc(Cl)s2)n1
InChIInChI=1S/C8H8ClN3S/c9-7-2-1-6(13-7)5-12-4-3-8(10)11-12/h1-4H,5H2,(H2,10,11)
InChIKeyCVABRYAMUYBHKE-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.23
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine

1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine (PubChem CID 60783078) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine
PubChem CID60783078
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2ccc(Cl)s2)n1
InChIInChI=1S/C8H8ClN3S/c9-7-2-1-6(13-7)5-12-4-3-8(10)11-12/h1-4H,5H2,(H2,10,11)
InChIKeyCVABRYAMUYBHKE-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-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine (CID 60783078) is 1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine is Nc1ccn(Cc2ccc(Cl)s2)n1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
The InChIKey is CVABRYAMUYBHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c9-7-2-1-6(13-7)5-12-4-3-8(10)11-12/h1-4H,5H2,(H2,10,11).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
1-[(5-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-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 60783078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).