1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine

C14H17N5S — CID 19627680

IUPAC1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCCn1ccc(CNCc2cc(-c3cccs3)n[nH]2)n1
InChIInChI=1S/C14H17N5S/c1-2-19-6-5-11(18-19)9-15-10-12-8-13(17-16-12)14-4-3-7-20-14/h3-8,15H,2,9-10H2,1H3,(H,16,17)
InChIKeyNAKJDIKXPVJUHE-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.64
Rot. Bonds6

About 1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine

1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine (PubChem CID 19627680) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine
PubChem CID19627680
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCCn1ccc(CNCc2cc(-c3cccs3)n[nH]2)n1
InChIInChI=1S/C14H17N5S/c1-2-19-6-5-11(18-19)9-15-10-12-8-13(17-16-12)14-4-3-7-20-14/h3-8,15H,2,9-10H2,1H3,(H,16,17)
InChIKeyNAKJDIKXPVJUHE-UHFFFAOYSA-N
XLogP2.64
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 19627646
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine
CID 19627694
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
CID 14911014
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019
ethane;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
CID 156804931
N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 19623033
5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446483
5-(butylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446488
2-[[(1-ethylpyrazol-3-yl)methylamino]methyl]benzoic acid;hydrochloride
CID 126966178
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate
CID 175261379
N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513078
N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride
CID 126968027

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine (CID 19627680) is 1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine is CCn1ccc(CNCc2cc(-c3cccs3)n[nH]2)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine?
The InChIKey is NAKJDIKXPVJUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-2-19-6-5-11(18-19)9-15-10-12-8-13(17-16-12)14-4-3-7-20-14/h3-8,15H,2,9-10H2,1H3,(H,16,17).
What are the key properties of 1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine?
1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine has a molecular weight of 287.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 19627680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).