N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine

C12H17N3S — CID 167861737

IUPACN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine
SMILESCc1nn(C)c(C)c1CN(C)c1ccsc1
InChIInChI=1S/C12H17N3S/c1-9-12(10(2)15(4)13-9)7-14(3)11-5-6-16-8-11/h5-6,8H,7H2,1-4H3
InChIKeyNPQBCSGWNCGSSA-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.73
Rot. Bonds3

About N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine

N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine (PubChem CID 167861737) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine
PubChem CID167861737
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine
SMILESCc1nn(C)c(C)c1CN(C)c1ccsc1
InChIInChI=1S/C12H17N3S/c1-9-12(10(2)15(4)13-9)7-14(3)11-5-6-16-8-11/h5-6,8H,7H2,1-4H3
InChIKeyNPQBCSGWNCGSSA-UHFFFAOYSA-N
XLogP2.73
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 60711401
1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105154076
1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine
CID 62178948
4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
CID 154773020
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 118771225
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30035013
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
2-[4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]anilino]acetic acid
CID 65059219
1,3-dimethyl-5-[methyl(thiophen-3-ylmethyl)amino]pyrazole-4-carbothioamide
CID 63758073
3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole
CID 126790097
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine?
The IUPAC name of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine (CID 167861737) is N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine.
What is the SMILES notation for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine?
The canonical SMILES for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine is Cc1nn(C)c(C)c1CN(C)c1ccsc1.
What is the InChIKey of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine?
The InChIKey is NPQBCSGWNCGSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9-12(10(2)15(4)13-9)7-14(3)11-5-6-16-8-11/h5-6,8H,7H2,1-4H3.
What are the key properties of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine?
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine has a molecular weight of 235.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine is sourced from PubChem (CID 167861737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).