1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol

C12H22N2O2 — CID 114664968

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol
SMILESCCC(O)CCc1c(OC)cnn1C(C)C
InChIInChI=1S/C12H22N2O2/c1-5-10(15)6-7-11-12(16-4)8-13-14(11)9(2)3/h8-10,15H,5-7H2,1-4H3
InChIKeyAEMJCXARDFMDEQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.18
Rot. Bonds6

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol (PubChem CID 114664968) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol
PubChem CID114664968
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol
SMILESCCC(O)CCc1c(OC)cnn1C(C)C
InChIInChI=1S/C12H22N2O2/c1-5-10(15)6-7-11-12(16-4)8-13-14(11)9(2)3/h8-10,15H,5-7H2,1-4H3
InChIKeyAEMJCXARDFMDEQ-UHFFFAOYSA-N
XLogP2.18
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromohexyl)-4-methoxy-1-propan-2-ylpyrazole
CID 114665415
4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one
CID 114663497
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-3-amine
CID 114664319
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114652068
1-(4-methoxy-1-methylpyrazol-5-yl)pentan-3-amine
CID 114663864
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol
CID 114664967
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
2-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114645769
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
4-methoxy-5-methyl-1-propan-2-ylpyrazole
CID 149332345
1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665013
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol (CID 114664968) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol is CCC(O)CCc1c(OC)cnn1C(C)C.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol?
The InChIKey is AEMJCXARDFMDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-10(15)6-7-11-12(16-4)8-13-14(11)9(2)3/h8-10,15H,5-7H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol has a molecular weight of 226.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol is sourced from PubChem (CID 114664968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).