N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine

C12H17N3S — CID 50964030

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCc1c(CN(C)Cc2ccsc2)cnn1C
InChIInChI=1S/C12H17N3S/c1-10-12(6-13-15(10)3)8-14(2)7-11-4-5-16-9-11/h4-6,9H,7-8H2,1-3H3
InChIKeyPNTYNMYLARVGNG-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.42
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 50964030) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID50964030
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCc1c(CN(C)Cc2ccsc2)cnn1C
InChIInChI=1S/C12H17N3S/c1-10-12(6-13-15(10)3)8-14(2)7-11-4-5-16-9-11/h4-6,9H,7-8H2,1-3H3
InChIKeyPNTYNMYLARVGNG-UHFFFAOYSA-N
XLogP2.42
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1-(3-thienylmethyl)-2-piperazinyl]ethanol
CID 16191196
N,N-dimethyl-N'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-(3-thienylmethyl)ethane-1,2-diamine
CID 46986262
N-isobutyl-3-(5-methyl-1H-pyrazol-1-yl)-N-(3-thienylmethyl)propanamide
CID 50949768
7-[(1-Methylpyrazol-4-yl)methyl]-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97392900
2-[(1-Methylpyrazol-4-yl)methyl]-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472772
4-Methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
CID 91321982
1,2-Dimethyl-3-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(thiophen-3-ylmethyl)guanidine
CID 112403467
1-(2-Thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole
CID 116621313
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 128973411
3-[(3-Methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole
CID 167900899
N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 16677879

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine (CID 50964030) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine is Cc1c(CN(C)Cc2ccsc2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is PNTYNMYLARVGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-10-12(6-13-15(10)3)8-14(2)7-11-4-5-16-9-11/h4-6,9H,7-8H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 50964030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).