4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol

C19H27N3O2 — CID 110929708

IUPAC4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
SMILESCOc1cccc(CN(Cc2cnn(C)c2)C2CCC(O)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-21-12-16(11-20-21)14-22(17-6-8-18(23)9-7-17)13-15-4-3-5-19(10-15)24-2/h3-5,10-12,17-18,23H,6-9,13-14H2,1-2H3
InChIKeyOYCHXFGICFWSEC-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.73
Rot. Bonds6

About 4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol

4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 110929708) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
PubChem CID110929708
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
SMILESCOc1cccc(CN(Cc2cnn(C)c2)C2CCC(O)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-21-12-16(11-20-21)14-22(17-6-8-18(23)9-7-17)13-15-4-3-5-19(10-15)24-2/h3-5,10-12,17-18,23H,6-9,13-14H2,1-2H3
InChIKeyOYCHXFGICFWSEC-UHFFFAOYSA-N
XLogP2.73
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol (CID 110929708) is 4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol is COc1cccc(CN(Cc2cnn(C)c2)C2CCC(O)CC2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is OYCHXFGICFWSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-12-16(11-20-21)14-22(17-6-8-18(23)9-7-17)13-15-4-3-5-19(10-15)24-2/h3-5,10-12,17-18,23H,6-9,13-14H2,1-2H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol?
4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 329.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 110929708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).