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

C15H26N4O — CID 144722024

IUPACN-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine
SMILESCNCc1cn[nH]c1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H26N4O/c1-16-10-13-11-17-18-15(13)12-2-4-14(5-3-12)19-6-8-20-9-7-19/h11-12,14,16H,2-10H2,1H3,(H,17,18)
InChIKeyYXENOHITDHOVRO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.49
Rot. Bonds4

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

N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 144722024) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine
PubChem CID144722024
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine
SMILESCNCc1cn[nH]c1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H26N4O/c1-16-10-13-11-17-18-15(13)12-2-4-14(5-3-12)19-6-8-20-9-7-19/h11-12,14,16H,2-10H2,1H3,(H,17,18)
InChIKeyYXENOHITDHOVRO-UHFFFAOYSA-N
XLogP1.49
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine (CID 144722024) is N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine is CNCc1cn[nH]c1C1CCC(N2CCOCC2)CC1.
What is the InChIKey of N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is YXENOHITDHOVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-16-10-13-11-17-18-15(13)12-2-4-14(5-3-12)19-6-8-20-9-7-19/h11-12,14,16H,2-10H2,1H3,(H,17,18).
What are the key properties of N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine?
N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 144722024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).