2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine

C21H31N5 — CID 70717568

IUPAC2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine
SMILESc1cnn(CCC2CCCCN2Cc2cnc(C3CCCCC3)nc2)c1
InChIInChI=1S/C21H31N5/c1-2-7-19(8-3-1)21-22-15-18(16-23-21)17-25-12-5-4-9-20(25)10-14-26-13-6-11-24-26/h6,11,13,15-16,19-20H,1-5,7-10,12,14,17H2
InChIKeyJBACTYXAXAHOOR-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.17
Rot. Bonds6

About 2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine

2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 70717568) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine
PubChem CID70717568
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine
SMILESc1cnn(CCC2CCCCN2Cc2cnc(C3CCCCC3)nc2)c1
InChIInChI=1S/C21H31N5/c1-2-7-19(8-3-1)21-22-15-18(16-23-21)17-25-12-5-4-9-20(25)10-14-26-13-6-11-24-26/h6,11,13,15-16,19-20H,1-5,7-10,12,14,17H2
InChIKeyJBACTYXAXAHOOR-UHFFFAOYSA-N
XLogP4.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine (CID 70717568) is 2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine is c1cnn(CCC2CCCCN2Cc2cnc(C3CCCCC3)nc2)c1.
What is the InChIKey of 2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is JBACTYXAXAHOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-2-7-19(8-3-1)21-22-15-18(16-23-21)17-25-12-5-4-9-20(25)10-14-26-13-6-11-24-26/h6,11,13,15-16,19-20H,1-5,7-10,12,14,17H2.
What are the key properties of 2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine?
2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 353.51 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 70717568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).