2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine

C15H16N4S — CID 66387981

IUPAC2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H16N4S/c16-13-6-8-20-15(13)10-17-9-11-1-3-12(4-2-11)14-5-7-18-19-14/h1-8,17H,9-10,16H2,(H,18,19)
InChIKeyZAMFPLCRBBZXNP-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.01
Rot. Bonds5

About 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine

2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine (PubChem CID 66387981) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine
PubChem CID66387981
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H16N4S/c16-13-6-8-20-15(13)10-17-9-11-1-3-12(4-2-11)14-5-7-18-19-14/h1-8,17H,9-10,16H2,(H,18,19)
InChIKeyZAMFPLCRBBZXNP-UHFFFAOYSA-N
XLogP3.01
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
CID 16190435
3-(2,5-dimethyl-3-thienyl)-1H-pyrazole
CID 3818016
6-(Thiophen-3-yl)-1H-indazole
CID 18007497
1-(4-methylbenzyl)-4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidine
CID 1488673
Cyto6G4
CID 2822152
1-Phenethyl-4-(5-thiophen-2-yl-1H-pyrazol-3-yl)-piperidine
CID 10497179
2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine
CID 4792479
(4,5,6,7-Tetrahydro-2H-indazol-5-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 14539722
6-(4-methylthiophen-2-yl)-1H-indazole
CID 70851357
4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine
CID 176376104
6-(Thiophen-2-yl)-1H-indazole
CID 53408450
7-{[5-(1H-pyrazol-5-yl)-2-thienyl]methyl}-2,7-diazaspiro[4.5]decane
CID 56748547

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine (CID 66387981) is 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine is Nc1ccsc1CNCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine?
The InChIKey is ZAMFPLCRBBZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c16-13-6-8-20-15(13)10-17-9-11-1-3-12(4-2-11)14-5-7-18-19-14/h1-8,17H,9-10,16H2,(H,18,19).
What are the key properties of 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine?
2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine has a molecular weight of 284.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66387981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).