(5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine

C8H8ClN3S — CID 82236048

IUPAC(5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine
SMILESNC(c1ccn[nH]1)c1ccc(Cl)s1
InChIInChI=1S/C8H8ClN3S/c9-7-2-1-6(13-7)8(10)5-3-4-11-12-5/h1-4,8H,10H2,(H,11,12)
InChIKeyHAADLIJMTUQGMC-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.17
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine

(5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine (PubChem CID 82236048) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine
PubChem CID82236048
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name(5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine
SMILESNC(c1ccn[nH]1)c1ccc(Cl)s1
InChIInChI=1S/C8H8ClN3S/c9-7-2-1-6(13-7)8(10)5-3-4-11-12-5/h1-4,8H,10H2,(H,11,12)
InChIKeyHAADLIJMTUQGMC-UHFFFAOYSA-N
XLogP2.17
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine (CID 82236048) is (5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine is NC(c1ccn[nH]1)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine?
The InChIKey is HAADLIJMTUQGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c9-7-2-1-6(13-7)8(10)5-3-4-11-12-5/h1-4,8H,10H2,(H,11,12).
What are the key properties of (5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine?
(5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine has a molecular weight of 213.69 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 82236048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).