N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide

C21H30N6O2 — CID 167870558

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)c3cnn(C4CCOCC4)c3C)CC2)ncn1
InChIInChI=1S/C21H30N6O2/c1-3-16-12-20(23-14-22-16)26-8-4-17(5-9-26)25-21(28)19-13-24-27(15(19)2)18-6-10-29-11-7-18/h12-14,17-18H,3-11H2,1-2H3,(H,25,28)
InChIKeyWBYYCJHCUIZQFY-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.29
Rot. Bonds5

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide (PubChem CID 167870558) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
PubChem CID167870558
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)c3cnn(C4CCOCC4)c3C)CC2)ncn1
InChIInChI=1S/C21H30N6O2/c1-3-16-12-20(23-14-22-16)26-8-4-17(5-9-26)25-21(28)19-13-24-27(15(19)2)18-6-10-29-11-7-18/h12-14,17-18H,3-11H2,1-2H3,(H,25,28)
InChIKeyWBYYCJHCUIZQFY-UHFFFAOYSA-N
XLogP2.29
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide (CID 167870558) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide is CCc1cc(N2CCC(NC(=O)c3cnn(C4CCOCC4)c3C)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The InChIKey is WBYYCJHCUIZQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-3-16-12-20(23-14-22-16)26-8-4-17(5-9-26)25-21(28)19-13-24-27(15(19)2)18-6-10-29-11-7-18/h12-14,17-18H,3-11H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 167870558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).