N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine

C20H34N4O2 — CID 144721994

IUPACN-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine
SMILESCNCc1cn(C2CCCCO2)nc1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H34N4O2/c1-21-14-17-15-24(19-4-2-3-11-26-19)22-20(17)16-5-7-18(8-6-16)23-9-12-25-13-10-23/h15-16,18-19,21H,2-14H2,1H3
InChIKeyUDUOBYYYRYFFAA-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.66
Rot. Bonds5

About N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine

N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine (PubChem CID 144721994) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine
PubChem CID144721994
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine
SMILESCNCc1cn(C2CCCCO2)nc1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H34N4O2/c1-21-14-17-15-24(19-4-2-3-11-26-19)22-20(17)16-5-7-18(8-6-16)23-9-12-25-13-10-23/h15-16,18-19,21H,2-14H2,1H3
InChIKeyUDUOBYYYRYFFAA-UHFFFAOYSA-N
XLogP2.66
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine (CID 144721994) is N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine is CNCc1cn(C2CCCCO2)nc1C1CCC(N2CCOCC2)CC1.
What is the InChIKey of N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine?
The InChIKey is UDUOBYYYRYFFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-21-14-17-15-24(19-4-2-3-11-26-19)22-20(17)16-5-7-18(8-6-16)23-9-12-25-13-10-23/h15-16,18-19,21H,2-14H2,1H3.
What are the key properties of N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine?
N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine has a molecular weight of 362.52 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(4-morpholin-4-ylcyclohexyl)-1-(oxan-2-yl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 144721994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).