N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

C12H17N3S — CID 19626561

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCn1cc(CNCc2ccsc2)c(C)n1
InChIInChI=1S/C12H17N3S/c1-3-15-8-12(10(2)14-15)7-13-6-11-4-5-16-9-11/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyHPHOZDMAMJNUFG-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.56
Rot. Bonds5

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 19626561) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID19626561
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCn1cc(CNCc2ccsc2)c(C)n1
InChIInChI=1S/C12H17N3S/c1-3-15-8-12(10(2)14-15)7-13-6-11-4-5-16-9-11/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyHPHOZDMAMJNUFG-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-N'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-(3-thienylmethyl)ethane-1,2-diamine
CID 46986262
N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63248119
(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine
CID 124848303
2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
CID 55088469
1,2-Dimethyl-3-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 112403466
1,2-Dimethyl-3-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(thiophen-3-ylmethyl)guanidine
CID 112403467
3-Ethyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 112403484
3-Ethyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(thiophen-3-ylmethyl)guanidine
CID 112403485
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
1-(1-(2-fluoroethyl)-3-(thiophen-3-yl)-1H-pyrazol-4-yl)-N-methylmethanamine
CID 121213651
[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl][(5-fluorothiophen-2-yl)methyl]amine
CID 122165807

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (CID 19626561) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is CCn1cc(CNCc2ccsc2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is HPHOZDMAMJNUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-15-8-12(10(2)14-15)7-13-6-11-4-5-16-9-11/h4-5,8-9,13H,3,6-7H2,1-2H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 19626561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).