2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol

C20H29N3O2 — CID 66665476

IUPAC2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol
SMILESCNCc1cc(OCc2ccccc2)n(C(CO)C2CCCCC2)n1
InChIInChI=1S/C20H29N3O2/c1-21-13-18-12-20(25-15-16-8-4-2-5-9-16)23(22-18)19(14-24)17-10-6-3-7-11-17/h2,4-5,8-9,12,17,19,21,24H,3,6-7,10-11,13-15H2,1H3
InChIKeyBTRKQXZGXAWSKD-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.30
Rot. Bonds8

About 2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol

2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol (PubChem CID 66665476) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol
PubChem CID66665476
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol
SMILESCNCc1cc(OCc2ccccc2)n(C(CO)C2CCCCC2)n1
InChIInChI=1S/C20H29N3O2/c1-21-13-18-12-20(25-15-16-8-4-2-5-9-16)23(22-18)19(14-24)17-10-6-3-7-11-17/h2,4-5,8-9,12,17,19,21,24H,3,6-7,10-11,13-15H2,1H3
InChIKeyBTRKQXZGXAWSKD-UHFFFAOYSA-N
XLogP3.30
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol?
The IUPAC name of 2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol (CID 66665476) is 2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol.
What is the SMILES notation for 2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol?
The canonical SMILES for 2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol is CNCc1cc(OCc2ccccc2)n(C(CO)C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol?
The InChIKey is BTRKQXZGXAWSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-21-13-18-12-20(25-15-16-8-4-2-5-9-16)23(22-18)19(14-24)17-10-6-3-7-11-17/h2,4-5,8-9,12,17,19,21,24H,3,6-7,10-11,13-15H2,1H3.
What are the key properties of 2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol?
2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol has a molecular weight of 343.47 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[3-(methylaminomethyl)-5-phenylmethoxypyrazol-1-yl]ethanol is sourced from PubChem (CID 66665476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).