1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine

C15H27N3O — CID 64778824

IUPAC1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine
SMILESCCOC(C)C(Cc1ccn(C2CCCC2)n1)NC
InChIInChI=1S/C15H27N3O/c1-4-19-12(2)15(16-3)11-13-9-10-18(17-13)14-7-5-6-8-14/h9-10,12,14-16H,4-8,11H2,1-3H3
InChIKeyYZPGNFIRGBWXLD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.55
Rot. Bonds7

About 1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine

1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine (PubChem CID 64778824) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine
PubChem CID64778824
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine
SMILESCCOC(C)C(Cc1ccn(C2CCCC2)n1)NC
InChIInChI=1S/C15H27N3O/c1-4-19-12(2)15(16-3)11-13-9-10-18(17-13)14-7-5-6-8-14/h9-10,12,14-16H,4-8,11H2,1-3H3
InChIKeyYZPGNFIRGBWXLD-UHFFFAOYSA-N
XLogP2.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
CID 104993857
[3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-yl]hydrazine
CID 105246329
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696
1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720039
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
CID 105157055
3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
CID 79495174
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
CID 116726577
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105102471
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine (CID 64778824) is 1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine is CCOC(C)C(Cc1ccn(C2CCCC2)n1)NC.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine?
The InChIKey is YZPGNFIRGBWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-19-12(2)15(16-3)11-13-9-10-18(17-13)14-7-5-6-8-14/h9-10,12,14-16H,4-8,11H2,1-3H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine is sourced from PubChem (CID 64778824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).