(2-pyrazol-1-ylthiophen-3-yl)methanamine

C8H9N3S — CID 146189770

IUPAC(2-pyrazol-1-ylthiophen-3-yl)methanamine
SMILESNCc1ccsc1-n1cccn1
InChIInChI=1S/C8H9N3S/c9-6-7-2-5-12-8(7)11-4-1-3-10-11/h1-5H,6,9H2
InChIKeyBHGCOXNERKBPKF-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.39
Rot. Bonds2

About (2-pyrazol-1-ylthiophen-3-yl)methanamine

(2-pyrazol-1-ylthiophen-3-yl)methanamine (PubChem CID 146189770) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is (2-pyrazol-1-ylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-pyrazol-1-ylthiophen-3-yl)methanamine
PubChem CID146189770
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name(2-pyrazol-1-ylthiophen-3-yl)methanamine
SMILESNCc1ccsc1-n1cccn1
InChIInChI=1S/C8H9N3S/c9-6-7-2-5-12-8(7)11-4-1-3-10-11/h1-5H,6,9H2
InChIKeyBHGCOXNERKBPKF-UHFFFAOYSA-N
XLogP1.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
4-Chloro-1-thiophen-2-ylpyrazole
CID 91477161
1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(3-thienylmethyl)methanamine
CID 50964030
N-methyl-3-(1H-pyrazol-1-yl)-N-(3-thienylmethyl)propan-1-amine
CID 50967142
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(3-thienylmethyl)propan-2-amine
CID 50968678
4-[2-(1H-pyrazol-1-yl)ethyl]-1-(3-thienylmethyl)piperidine
CID 50985463
[2-(1H-pyrrol-1-yl)thiophen-3-yl]methanamine
CID 12350032
2-Bromo-5-(2-pyrazolyl)thiophene
CID 12554491

Frequently Asked Questions

What is the IUPAC name of (2-pyrazol-1-ylthiophen-3-yl)methanamine?
The IUPAC name of (2-pyrazol-1-ylthiophen-3-yl)methanamine (CID 146189770) is (2-pyrazol-1-ylthiophen-3-yl)methanamine.
What is the SMILES notation for (2-pyrazol-1-ylthiophen-3-yl)methanamine?
The canonical SMILES for (2-pyrazol-1-ylthiophen-3-yl)methanamine is NCc1ccsc1-n1cccn1.
What is the InChIKey of (2-pyrazol-1-ylthiophen-3-yl)methanamine?
The InChIKey is BHGCOXNERKBPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c9-6-7-2-5-12-8(7)11-4-1-3-10-11/h1-5H,6,9H2.
What are the key properties of (2-pyrazol-1-ylthiophen-3-yl)methanamine?
(2-pyrazol-1-ylthiophen-3-yl)methanamine has a molecular weight of 179.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrazol-1-ylthiophen-3-yl)methanamine is sourced from PubChem (CID 146189770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).