4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol

C15H27N3O — CID 65077667

IUPAC4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C15H27N3O/c1-3-8-17-9-5-6-15(19,7-10-17)11-14-12-16-18(4-2)13-14/h12-13,19H,3-11H2,1-2H3
InChIKeyZBKQOYKNWXREPW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.07
Rot. Bonds5

About 4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol

4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol (PubChem CID 65077667) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol
PubChem CID65077667
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C15H27N3O/c1-3-8-17-9-5-6-15(19,7-10-17)11-14-12-16-18(4-2)13-14/h12-13,19H,3-11H2,1-2H3
InChIKeyZBKQOYKNWXREPW-UHFFFAOYSA-N
XLogP2.07
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol
CID 103006333
4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol
CID 65077468
4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol
CID 62126069
4-[(3-chlorophenyl)methyl]-1-propylazepan-4-ol
CID 65077956
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
4-[(4-chloro-3-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 107883599
3-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63585891
1-(2-chloroethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane
CID 63388085
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-propylazepan-4-ol
CID 79827475
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole
CID 79452458

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol (CID 65077667) is 4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol is CCCN1CCCC(O)(Cc2cnn(CC)c2)CC1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol?
The InChIKey is ZBKQOYKNWXREPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-8-17-9-5-6-15(19,7-10-17)11-14-12-16-18(4-2)13-14/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol?
4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol has a molecular weight of 265.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol is sourced from PubChem (CID 65077667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).