N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine

C13H19N3S — CID 103030144

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1ccc(C)s1
InChIInChI=1S/C13H19N3S/c1-10-4-7-13(17-10)12(14-2)6-5-11-8-15-16(3)9-11/h4,7-9,12,14H,5-6H2,1-3H3
InChIKeyPYHVUHQTRGBEBX-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.68
Rot. Bonds5

About N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine

N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine (PubChem CID 103030144) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine
PubChem CID103030144
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1ccc(C)s1
InChIInChI=1S/C13H19N3S/c1-10-4-7-13(17-10)12(14-2)6-5-11-8-15-16(3)9-11/h4,7-9,12,14H,5-6H2,1-3H3
InChIKeyPYHVUHQTRGBEBX-UHFFFAOYSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 105162051
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030193
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029803
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
N-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 43480384
1-(2-methoxy-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029786
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971
1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011495
N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine
CID 103029868

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine (CID 103030144) is N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine is CNC(CCc1cnn(C)c1)c1ccc(C)s1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine?
The InChIKey is PYHVUHQTRGBEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10-4-7-13(17-10)12(14-2)6-5-11-8-15-16(3)9-11/h4,7-9,12,14H,5-6H2,1-3H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 103030144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).