ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine

C17H32N4O — CID 144722023

IUPACethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine
SMILESCC.CNCc1cn[nH]c1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H26N4O.C2H6/c1-16-10-13-11-17-18-15(13)12-2-4-14(5-3-12)19-6-8-20-9-7-19;1-2/h11-12,14,16H,2-10H2,1H3,(H,17,18);1-2H3
InChIKeyLZGLLNGWDXCVPL-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.51
Rot. Bonds4

About ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine

ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 144722023) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine
PubChem CID144722023
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Nameethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine
SMILESCC.CNCc1cn[nH]c1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H26N4O.C2H6/c1-16-10-13-11-17-18-15(13)12-2-4-14(5-3-12)19-6-8-20-9-7-19;1-2/h11-12,14,16H,2-10H2,1H3,(H,17,18);1-2H3
InChIKeyLZGLLNGWDXCVPL-UHFFFAOYSA-N
XLogP2.51
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine (CID 144722023) is ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine is CC.CNCc1cn[nH]c1C1CCC(N2CCOCC2)CC1.
What is the InChIKey of ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is LZGLLNGWDXCVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.C2H6/c1-16-10-13-11-17-18-15(13)12-2-4-14(5-3-12)19-6-8-20-9-7-19;1-2/h11-12,14,16H,2-10H2,1H3,(H,17,18);1-2H3.
What are the key properties of ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine?
ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 308.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 144722023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).