N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine

C13H19N3S — CID 121211275

IUPACN-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine
SMILESCNCc1cc(-c2ccsc2)nn1CC(C)C
InChIInChI=1S/C13H19N3S/c1-10(2)8-16-12(7-14-3)6-13(15-16)11-4-5-17-9-11/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyCEOFJMBMQNGPBN-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine

N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine (PubChem CID 121211275) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine
PubChem CID121211275
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine
SMILESCNCc1cc(-c2ccsc2)nn1CC(C)C
InChIInChI=1S/C13H19N3S/c1-10(2)8-16-12(7-14-3)6-13(15-16)11-4-5-17-9-11/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyCEOFJMBMQNGPBN-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-3-thiophen-3-ylpyrazol-5-yl)-N-methylmethanamine
CID 121211272
1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine
CID 121211276
1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine
CID 121214181
1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine
CID 121210948
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine
CID 121211971
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid
CID 121211968
6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447368
methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate
CID 121211967
3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole
CID 170037358
5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole
CID 121211186
2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one
CID 122239427
N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide
CID 42879294

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine (CID 121211275) is N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine is CNCc1cc(-c2ccsc2)nn1CC(C)C.
What is the InChIKey of N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine?
The InChIKey is CEOFJMBMQNGPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10(2)8-16-12(7-14-3)6-13(15-16)11-4-5-17-9-11/h4-6,9-10,14H,7-8H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine?
N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine has a molecular weight of 249.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine is sourced from PubChem (CID 121211275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).