1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine

C10H13N3S — CID 63247743

IUPAC1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1ccn[nH]1
InChIInChI=1S/C10H13N3S/c1-8(10-2-4-12-13-10)11-6-9-3-5-14-7-9/h2-5,7-8,11H,6H2,1H3,(H,12,13)
InChIKeyKBIXFUMZXWDLOX-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.32
Rot. Bonds4

About 1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine

1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 63247743) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID63247743
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1ccn[nH]1
InChIInChI=1S/C10H13N3S/c1-8(10-2-4-12-13-10)11-6-9-3-5-14-7-9/h2-5,7-8,11H,6H2,1H3,(H,12,13)
InChIKeyKBIXFUMZXWDLOX-UHFFFAOYSA-N
XLogP2.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 106757796
4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol
CID 61237634
N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 62522793
1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 19626652
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
CID 63248200
1-(5-methyl-1,3-oxazol-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103893542
N-[(2,4-difluorophenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 62223624
(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106038951
5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63247789
N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 60973145

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine (CID 63247743) is 1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine is CC(NCc1ccsc1)c1ccn[nH]1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is KBIXFUMZXWDLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8(10-2-4-12-13-10)11-6-9-3-5-14-7-9/h2-5,7-8,11H,6H2,1H3,(H,12,13).
What are the key properties of 1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine?
1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 207.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 63247743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).