[5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol

C15H27N3O — CID 61449265

IUPAC[5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCC1CCC(N(C)c2c(CO)c(C)nn2C)CC1
InChIInChI=1S/C15H27N3O/c1-5-12-6-8-13(9-7-12)17(3)15-14(10-19)11(2)16-18(15)4/h12-13,19H,5-10H2,1-4H3
InChIKeyOHXVWVCINVFQGS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.63
Rot. Bonds4

About [5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol

[5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 61449265) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID61449265
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCC1CCC(N(C)c2c(CO)c(C)nn2C)CC1
InChIInChI=1S/C15H27N3O/c1-5-12-6-8-13(9-7-12)17(3)15-14(10-19)11(2)16-18(15)4/h12-13,19H,5-10H2,1-4H3
InChIKeyOHXVWVCINVFQGS-UHFFFAOYSA-N
XLogP2.63
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol (CID 61449265) is [5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol is CCC1CCC(N(C)c2c(CO)c(C)nn2C)CC1.
What is the InChIKey of [5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is OHXVWVCINVFQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-12-6-8-13(9-7-12)17(3)15-14(10-19)11(2)16-18(15)4/h12-13,19H,5-10H2,1-4H3.
What are the key properties of [5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol?
[5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 265.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 61449265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).