4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol

C19H27N3O2 — CID 110929706

IUPAC4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol
SMILESCOc1cccc(CN(CCn2cccn2)C2CCC(O)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-24-19-5-2-4-16(14-19)15-21(12-13-22-11-3-10-20-22)17-6-8-18(23)9-7-17/h2-5,10-11,14,17-18,23H,6-9,12-13,15H2,1H3
InChIKeyMJFNTLUCYIXLPC-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.70
Rot. Bonds7

About 4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol

4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol (PubChem CID 110929706) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol
PubChem CID110929706
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol
SMILESCOc1cccc(CN(CCn2cccn2)C2CCC(O)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-24-19-5-2-4-16(14-19)15-21(12-13-22-11-3-10-20-22)17-6-8-18(23)9-7-17/h2-5,10-11,14,17-18,23H,6-9,12-13,15H2,1H3
InChIKeyMJFNTLUCYIXLPC-UHFFFAOYSA-N
XLogP2.70
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
CID 110929708
4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol
CID 75496937
3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]propanethioamide
CID 54997340
N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 51133953
N-(2-chloroethyl)-N-[(3-methoxyphenyl)methyl]cyclohexanamine
CID 63386912
4-[(4-methoxy-3-nitrophenyl)methyl-[(3-methoxyphenyl)methyl]amino]cyclohexan-1-ol
CID 86885959
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
1-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol
CID 42837648
(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 100736446
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 86885972

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol (CID 110929706) is 4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol is COc1cccc(CN(CCn2cccn2)C2CCC(O)CC2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol?
The InChIKey is MJFNTLUCYIXLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-24-19-5-2-4-16(14-19)15-21(12-13-22-11-3-10-20-22)17-6-8-18(23)9-7-17/h2-5,10-11,14,17-18,23H,6-9,12-13,15H2,1H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol?
4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol has a molecular weight of 329.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 110929706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).