4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C18H22N2O2 — CID 118706764

IUPAC4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESc1ccc(OCc2cc3n(n2)CCCC3OCC2CC2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-5-16(6-3-1)21-13-15-11-17-18(22-12-14-8-9-14)7-4-10-20(17)19-15/h1-3,5-6,11,14,18H,4,7-10,12-13H2
InChIKeyRGFYBHJHFYVAPG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.72
Rot. Bonds6

About 4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 118706764) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID118706764
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESc1ccc(OCc2cc3n(n2)CCCC3OCC2CC2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-5-16(6-3-1)21-13-15-11-17-18(22-12-14-8-9-14)7-4-10-20(17)19-15/h1-3,5-6,11,14,18H,4,7-10,12-13H2
InChIKeyRGFYBHJHFYVAPG-UHFFFAOYSA-N
XLogP3.72
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine
CID 118706763
2-(Phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706765
2-(Phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706776
2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706777
N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706780
4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
CID 118706957
1,3-Dimethyl-5-(phenoxymethyl)pyrazole
CID 65864346
4-Methoxy-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706762
5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine
CID 118706766
2-(Phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 118706767
5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-ol
CID 118706768
4,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol
CID 118706769

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 118706764) is 4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is c1ccc(OCc2cc3n(n2)CCCC3OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is RGFYBHJHFYVAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-5-16(6-3-1)21-13-15-11-17-18(22-12-14-8-9-14)7-4-10-20(17)19-15/h1-3,5-6,11,14,18H,4,7-10,12-13H2.
What are the key properties of 4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 298.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 118706764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).