2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine

C15H21N5 — CID 102923483

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)c1cncnc1
InChIInChI=1S/C15H21N5/c16-15(12-9-17-11-18-10-12)8-13-6-7-20(19-13)14-4-2-1-3-5-14/h6-7,9-11,14-15H,1-5,8,16H2
InChIKeyFMEFGBLAPVVVKA-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.42
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine

2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine (PubChem CID 102923483) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
PubChem CID102923483
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)c1cncnc1
InChIInChI=1S/C15H21N5/c16-15(12-9-17-11-18-10-12)8-13-6-7-20(19-13)14-4-2-1-3-5-14/h6-7,9-11,14-15H,1-5,8,16H2
InChIKeyFMEFGBLAPVVVKA-UHFFFAOYSA-N
XLogP2.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
2-(1-cyclopentylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethanamine
CID 104994002
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678
2-(1-cyclopentylpyrazol-3-yl)-1-pyrazin-2-ylethanamine
CID 64786059
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79706176
2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine
CID 64784709
1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 64784343
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64785885
1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993935
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine (CID 102923483) is 2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine is NC(Cc1ccn(C2CCCCC2)n1)c1cncnc1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
The InChIKey is FMEFGBLAPVVVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c16-15(12-9-17-11-18-10-12)8-13-6-7-20(19-13)14-4-2-1-3-5-14/h6-7,9-11,14-15H,1-5,8,16H2.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine has a molecular weight of 271.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).