4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol

C15H29N3O2 — CID 114866248

IUPAC4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol
SMILESCCCC(O)(CCC)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C15H29N3O2/c1-6-8-15(19,9-7-2)14-13(20-5)12-16-18(14)11-10-17(3)4/h12,19H,6-11H2,1-5H3
InChIKeyWRDMGRLHPAIEMS-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.24
Rot. Bonds9

About 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol

4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol (PubChem CID 114866248) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol.

Molecular Properties

Compound Name4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol
PubChem CID114866248
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol
SMILESCCCC(O)(CCC)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C15H29N3O2/c1-6-8-15(19,9-7-2)14-13(20-5)12-16-18(14)11-10-17(3)4/h12,19H,6-11H2,1-5H3
InChIKeyWRDMGRLHPAIEMS-UHFFFAOYSA-N
XLogP2.24
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)pentan-2-ol
CID 114637770
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine
CID 114666994
1-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114637758
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine
CID 103392389
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114665922
1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde
CID 114640202
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114651746
2-(dimethylamino)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylpropan-1-one
CID 114641063
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4,4-dimethylpentan-3-one
CID 114663591
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027699
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol?
The IUPAC name of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol (CID 114866248) is 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol.
What is the SMILES notation for 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol?
The canonical SMILES for 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol is CCCC(O)(CCC)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol?
The InChIKey is WRDMGRLHPAIEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-6-8-15(19,9-7-2)14-13(20-5)12-16-18(14)11-10-17(3)4/h12,19H,6-11H2,1-5H3.
What are the key properties of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol?
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol has a molecular weight of 283.42 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol is sourced from PubChem (CID 114866248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).