N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine

C13H15N3S — CID 121213851

IUPACN-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine
SMILESC#CCn1cc(CCNC)c(-c2ccsc2)n1
InChIInChI=1S/C13H15N3S/c1-3-7-16-9-11(4-6-14-2)13(15-16)12-5-8-17-10-12/h1,5,8-10,14H,4,6-7H2,2H3
InChIKeyGDSZXRZVMIDFHC-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.01
Rot. Bonds5

About N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine

N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine (PubChem CID 121213851) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine
PubChem CID121213851
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine
SMILESC#CCn1cc(CCNC)c(-c2ccsc2)n1
InChIInChI=1S/C13H15N3S/c1-3-7-16-9-11(4-6-14-2)13(15-16)12-5-8-17-10-12/h1,5,8-10,14H,4,6-7H2,2H3
InChIKeyGDSZXRZVMIDFHC-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine
CID 121213649
4-(bromomethyl)-1-(2-methylpropyl)-3-thiophen-3-ylpyrazole
CID 121211689
2-[1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-4-yl]acetonitrile
CID 121213747
2-[1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]-N-methylethanamine
CID 121213845
2-ethyl-4,5-di(thiophen-3-yl)triazole
CID 121014041
methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate
CID 121213696
1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine
CID 83222729
4-[3-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-1-(2-methylpropyl)-3-thiophen-3-ylpyrazole
CID 171111754
2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide
CID 121213824
N-methyl-4-[2-(methylamino)ethyl]thiophen-3-amine
CID 143122532
2-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 83828126
5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine
CID 80976401

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine (CID 121213851) is N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine is C#CCn1cc(CCNC)c(-c2ccsc2)n1.
What is the InChIKey of N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine?
The InChIKey is GDSZXRZVMIDFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-3-7-16-9-11(4-6-14-2)13(15-16)12-5-8-17-10-12/h1,5,8-10,14H,4,6-7H2,2H3.
What are the key properties of N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine?
N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine has a molecular weight of 245.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-prop-2-ynyl-3-thiophen-3-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 121213851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).