1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine

C12H17N3S — CID 43647714

IUPAC1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(Cc2ccsc2)c1C
InChIInChI=1S/C12H17N3S/c1-9-12(6-13-3)10(2)15(14-9)7-11-4-5-16-8-11/h4-5,8,13H,6-7H2,1-3H3
InChIKeyAYAHABCYTGSCHN-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.33
Rot. Bonds4

About 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine

1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 43647714) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID43647714
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(Cc2ccsc2)c1C
InChIInChI=1S/C12H17N3S/c1-9-12(6-13-3)10(2)15(14-9)7-11-4-5-16-8-11/h4-5,8,13H,6-7H2,1-3H3
InChIKeyAYAHABCYTGSCHN-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]acetic acid
CID 61294642
1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine
CID 63094958
4-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647628
1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 43647688
1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
CID 43647700
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114930879
3-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647689
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
1-[1-[(2,4-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 82300123
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54956367
1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
CID 43647632
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine (CID 43647714) is 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(Cc2ccsc2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is AYAHABCYTGSCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9-12(6-13-3)10(2)15(14-9)7-11-4-5-16-8-11/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 43647714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).