4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol

C15H27N3O — CID 103006333

IUPAC4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(CCc2cnn(C)c2)CC1
InChIInChI=1S/C15H27N3O/c1-3-9-18-10-4-6-15(19,8-11-18)7-5-14-12-16-17(2)13-14/h12-13,19H,3-11H2,1-2H3
InChIKeyJIRPZNUYMCHXDZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.98
Rot. Bonds5

About 4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol

4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol (PubChem CID 103006333) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol
PubChem CID103006333
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(CCc2cnn(C)c2)CC1
InChIInChI=1S/C15H27N3O/c1-3-9-18-10-4-6-15(19,8-11-18)7-5-14-12-16-17(2)13-14/h12-13,19H,3-11H2,1-2H3
InChIKeyJIRPZNUYMCHXDZ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol
CID 65077667
1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 103005851
3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103006388
3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006532
3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
CID 106874124
4-but-3-ynyl-1-propylazepan-4-ol
CID 65077810
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
3-amino-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006526
4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol
CID 65077468
4-ethyl-1-propylpiperidin-4-ol
CID 60895499
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014465

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol?
The IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol (CID 103006333) is 4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol.
What is the SMILES notation for 4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol?
The canonical SMILES for 4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol is CCCN1CCCC(O)(CCc2cnn(C)c2)CC1.
What is the InChIKey of 4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol?
The InChIKey is JIRPZNUYMCHXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-9-18-10-4-6-15(19,8-11-18)7-5-14-12-16-17(2)13-14/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol?
4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol has a molecular weight of 265.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol is sourced from PubChem (CID 103006333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).