N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine

C8H9N3S — CID 67516220

IUPACN-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
SMILESc1csc(CNc2ccn[nH]2)c1
InChIInChI=1S/C8H9N3S/c1-2-7(12-5-1)6-9-8-3-4-10-11-8/h1-5H,6H2,(H2,9,10,11)
InChIKeyOSEVYAQLAPTMCT-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.08
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine

N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine (PubChem CID 67516220) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
PubChem CID67516220
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC NameN-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
SMILESc1csc(CNc2ccn[nH]2)c1
InChIInChI=1S/C8H9N3S/c1-2-7(12-5-1)6-9-8-3-4-10-11-8/h1-5H,6H2,(H2,9,10,11)
InChIKeyOSEVYAQLAPTMCT-UHFFFAOYSA-N
XLogP2.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
CID 2517659
1-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-5-amine
CID 2535078
1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 72141266
1-((4-bromothiophen-2-yl)methyl)-1H-pyrazol-5-amine
CID 2526140
1-(1-thien-2-ylethyl)-1H-pyrazol-5-amine
CID 3154158
N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 71850617
N-[4-(4-fluorophenyl)but-1-en-2-yl]-N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
CID 156394613
N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine
CID 163917051
1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine
CID 115698089
N-[(5-fluorothiophen-2-yl)methyl]-1-propyl-1H-pyrazol-3-amine
CID 122165717
N-[(5-fluorothiophen-2-yl)methyl]-1-(propan-2-yl)-1H-pyrazol-3-amine
CID 122165718
1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]-1H-pyrazol-3-amine
CID 122165722

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine (CID 67516220) is N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine is c1csc(CNc2ccn[nH]2)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine?
The InChIKey is OSEVYAQLAPTMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-2-7(12-5-1)6-9-8-3-4-10-11-8/h1-5H,6H2,(H2,9,10,11).
What are the key properties of N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine?
N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine has a molecular weight of 179.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 67516220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).