2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C15H22N4S — CID 105157013

IUPAC2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1ccn(C2CCCC2)n1)c1csc(C)n1
InChIInChI=1S/C15H22N4S/c1-11-17-15(10-20-11)14(16-2)9-12-7-8-19(18-12)13-5-3-4-6-13/h7-8,10,13-14,16H,3-6,9H2,1-2H3
InChIKeyBDAPUHWNWWHHPB-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.27
Rot. Bonds5

About 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 105157013) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID105157013
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1ccn(C2CCCC2)n1)c1csc(C)n1
InChIInChI=1S/C15H22N4S/c1-11-17-15(10-20-11)14(16-2)9-12-7-8-19(18-12)13-5-3-4-6-13/h7-8,10,13-14,16H,3-6,9H2,1-2H3
InChIKeyBDAPUHWNWWHHPB-UHFFFAOYSA-N
XLogP3.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107975620
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777224
2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 64785855
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157078
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105157026
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 105157069
2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 64786076
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 104993958
2-cyclohexyl-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105135487
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105157011

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 105157013) is 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(Cc1ccn(C2CCCC2)n1)c1csc(C)n1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is BDAPUHWNWWHHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-11-17-15(10-20-11)14(16-2)9-12-7-8-19(18-12)13-5-3-4-6-13/h7-8,10,13-14,16H,3-6,9H2,1-2H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 290.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 105157013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).