2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine

C10H14N4S — CID 82882024

IUPAC2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine
SMILESCn1ccc(CNCc2sccc2N)n1
InChIInChI=1S/C10H14N4S/c1-14-4-2-8(13-14)6-12-7-10-9(11)3-5-15-10/h2-5,12H,6-7,11H2,1H3
InChIKeyRIIKUAJCPVLWSP-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.35
Rot. Bonds4

About 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine

2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine (PubChem CID 82882024) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine
PubChem CID82882024
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine
SMILESCn1ccc(CNCc2sccc2N)n1
InChIInChI=1S/C10H14N4S/c1-14-4-2-8(13-14)6-12-7-10-9(11)3-5-15-10/h2-5,12H,6-7,11H2,1H3
InChIKeyRIIKUAJCPVLWSP-UHFFFAOYSA-N
XLogP1.35
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106076401
3-[(3-aminothiophen-2-yl)methylamino]propanenitrile
CID 66385922
N-[(5-ethylfuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882280
N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882116
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166525
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
4-N-[(1-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329463
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
1-(1-methylpyrazol-3-yl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine
CID 113375105
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 78923359

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine (CID 82882024) is 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine is Cn1ccc(CNCc2sccc2N)n1.
What is the InChIKey of 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine?
The InChIKey is RIIKUAJCPVLWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-14-4-2-8(13-14)6-12-7-10-9(11)3-5-15-10/h2-5,12H,6-7,11H2,1H3.
What are the key properties of 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine?
2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine has a molecular weight of 222.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 82882024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).