2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine

C17H29N3O — CID 56871968

IUPAC2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine
SMILESCc1n[nH]c(C)c1CN1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C17H29N3O/c1-13-17(14(2)19-18-13)12-20-8-9-21-16(11-20)10-15-6-4-3-5-7-15/h15-16H,3-12H2,1-2H3,(H,18,19)
InChIKeyUISDMXSKEAFYQC-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.20
Rot. Bonds4

About 2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine

2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine (PubChem CID 56871968) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine
PubChem CID56871968
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine
SMILESCc1n[nH]c(C)c1CN1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C17H29N3O/c1-13-17(14(2)19-18-13)12-20-8-9-21-16(11-20)10-15-6-4-3-5-7-15/h15-16H,3-12H2,1-2H3,(H,18,19)
InChIKeyUISDMXSKEAFYQC-UHFFFAOYSA-N
XLogP3.20
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine?
The IUPAC name of 2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine (CID 56871968) is 2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine is Cc1n[nH]c(C)c1CN1CCOC(CC2CCCCC2)C1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine?
The InChIKey is UISDMXSKEAFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-17(14(2)19-18-13)12-20-8-9-21-16(11-20)10-15-6-4-3-5-7-15/h15-16H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine?
2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine has a molecular weight of 291.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 56871968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).