2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine

C16H23N5 — CID 64778210

IUPAC2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)c1ncccn1
InChIInChI=1S/C16H23N5/c1-2-17-15(16-18-9-5-10-19-16)12-13-8-11-21(20-13)14-6-3-4-7-14/h5,8-11,14-15,17H,2-4,6-7,12H2,1H3
InChIKeyKGVJOLLAHOYAKL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.68
Rot. Bonds6

About 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine

2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine (PubChem CID 64778210) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine
PubChem CID64778210
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)c1ncccn1
InChIInChI=1S/C16H23N5/c1-2-17-15(16-18-9-5-10-19-16)12-13-8-11-21(20-13)14-6-3-4-7-14/h5,8-11,14-15,17H,2-4,6-7,12H2,1H3
InChIKeyKGVJOLLAHOYAKL-UHFFFAOYSA-N
XLogP2.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-cyclopentylpyrazol-3-yl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203635
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 64779215
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 105157069
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 104993958
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
CID 65420196
1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 64778224
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
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanol
CID 64785093

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine (CID 64778210) is 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine is CCNC(Cc1ccn(C2CCCC2)n1)c1ncccn1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine?
The InChIKey is KGVJOLLAHOYAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-17-15(16-18-9-5-10-19-16)12-13-8-11-21(20-13)14-6-3-4-7-14/h5,8-11,14-15,17H,2-4,6-7,12H2,1H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine?
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.68, 6 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-ethyl-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 64778210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).