2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol

C15H20ClN3O2 — CID 110538142

IUPAC2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol
SMILESCCN1CCC2=NNC(c3cc(Cl)c(O)c(OC)c3)C2C1
InChIInChI=1S/C15H20ClN3O2/c1-3-19-5-4-12-10(8-19)14(18-17-12)9-6-11(16)15(20)13(7-9)21-2/h6-7,10,14,18,20H,3-5,8H2,1-2H3
InChIKeyYJJYQVZATWUFOM-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.40
Rot. Bonds3

About 2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol

2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol (PubChem CID 110538142) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol
PubChem CID110538142
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol
SMILESCCN1CCC2=NNC(c3cc(Cl)c(O)c(OC)c3)C2C1
InChIInChI=1S/C15H20ClN3O2/c1-3-19-5-4-12-10(8-19)14(18-17-12)9-6-11(16)15(20)13(7-9)21-2/h6-7,10,14,18,20H,3-5,8H2,1-2H3
InChIKeyYJJYQVZATWUFOM-UHFFFAOYSA-N
XLogP2.40
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110535383
3-(2,4-dimethoxyphenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110539102
3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110534365
3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110539933
5-benzyl-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110532453
5-benzyl-3-(3,4,5-trimethoxyphenyl)-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110533658
2-bromo-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 110537412
3-(4-ethoxy-3-methoxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110537733
3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110537640
3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110538691
3-(3-methoxy-4-pentoxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110535156
5-benzyl-3-(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110531083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol?
The IUPAC name of 2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol (CID 110538142) is 2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol is CCN1CCC2=NNC(c3cc(Cl)c(O)c(OC)c3)C2C1.
What is the InChIKey of 2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol?
The InChIKey is YJJYQVZATWUFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-3-19-5-4-12-10(8-19)14(18-17-12)9-6-11(16)15(20)13(7-9)21-2/h6-7,10,14,18,20H,3-5,8H2,1-2H3.
What are the key properties of 2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol?
2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol has a molecular weight of 309.80 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol is sourced from PubChem (CID 110538142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).