3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol

C19H23N3O2 — CID 69316769

IUPAC3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol
SMILESCC(C)n1nc(CCCO)cc1OCc1ccc2ccccc2n1
InChIInChI=1S/C19H23N3O2/c1-14(2)22-19(12-16(21-22)7-5-11-23)24-13-17-10-9-15-6-3-4-8-18(15)20-17/h3-4,6,8-10,12,14,23H,5,7,11,13H2,1-2H3
InChIKeyAEFNWOOZIUNEAD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.52
Rot. Bonds7

About 3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol

3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol (PubChem CID 69316769) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol
PubChem CID69316769
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol
SMILESCC(C)n1nc(CCCO)cc1OCc1ccc2ccccc2n1
InChIInChI=1S/C19H23N3O2/c1-14(2)22-19(12-16(21-22)7-5-11-23)24-13-17-10-9-15-6-3-4-8-18(15)20-17/h3-4,6,8-10,12,14,23H,5,7,11,13H2,1-2H3
InChIKeyAEFNWOOZIUNEAD-UHFFFAOYSA-N
XLogP3.52
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]methoxy]phenyl]acetic acid
CID 69315108
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol
CID 69319101
9-quinolin-2-ylnonan-1-ol
CID 19898716
4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol
CID 10769106
2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
CID 21280545
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
2-methyl-6-propyl-3-(quinolin-2-ylmethoxy)phenol
CID 57174515
[6-methyl-3-(quinolin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79157803
2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349128
2-(2-methoxyethyl)quinoline
CID 129321824

Frequently Asked Questions

What is the IUPAC name of 3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol?
The IUPAC name of 3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol (CID 69316769) is 3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol is CC(C)n1nc(CCCO)cc1OCc1ccc2ccccc2n1.
What is the InChIKey of 3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol?
The InChIKey is AEFNWOOZIUNEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(2)22-19(12-16(21-22)7-5-11-23)24-13-17-10-9-15-6-3-4-8-18(15)20-17/h3-4,6,8-10,12,14,23H,5,7,11,13H2,1-2H3.
What are the key properties of 3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol?
3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol has a molecular weight of 325.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 69316769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).