1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

C11H16N4S — CID 115762272

IUPAC1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCn1nccc1CNCc1cnc(C)s1
InChIInChI=1S/C11H16N4S/c1-3-15-10(4-5-14-15)6-12-7-11-8-13-9(2)16-11/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyBOKCLSCQLKTDQA-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.96
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 115762272) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID115762272
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCn1nccc1CNCc1cnc(C)s1
InChIInChI=1S/C11H16N4S/c1-3-15-10(4-5-14-15)6-12-7-11-8-13-9(2)16-11/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyBOKCLSCQLKTDQA-UHFFFAOYSA-N
XLogP1.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 115762272) is 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is CCn1nccc1CNCc1cnc(C)s1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is BOKCLSCQLKTDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-15-10(4-5-14-15)6-12-7-11-8-13-9(2)16-11/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 236.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 115762272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).