3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

C13H14N2O2 — CID 169498783

IUPAC3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCOc1cccc(-c2n[nH]c3c2COCC3)c1
InChIInChI=1S/C13H14N2O2/c1-16-10-4-2-3-9(7-10)13-11-8-17-6-5-12(11)14-15-13/h2-4,7H,5-6,8H2,1H3,(H,14,15)
InChIKeyIZHCQBKFYBGPIN-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.16
Rot. Bonds2

About 3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 169498783) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID169498783
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCOc1cccc(-c2n[nH]c3c2COCC3)c1
InChIInChI=1S/C13H14N2O2/c1-16-10-4-2-3-9(7-10)13-11-8-17-6-5-12(11)14-15-13/h2-4,7H,5-6,8H2,1H3,(H,14,15)
InChIKeyIZHCQBKFYBGPIN-UHFFFAOYSA-N
XLogP2.16
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-4-pyridinyl)ethyl]-3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)aniline
CID 167839800
[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 42510874
[2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 74232527
N-(1H-indazol-6-ylmethyl)-3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)aniline
CID 167766468
3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498792
3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 29259331
4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole
CID 141358223
5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 45242211
3-(3-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 19616411
3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 42194500
N-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577881
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 169498783) is 3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is COc1cccc(-c2n[nH]c3c2COCC3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is IZHCQBKFYBGPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-16-10-4-2-3-9(7-10)13-11-8-17-6-5-12(11)14-15-13/h2-4,7H,5-6,8H2,1H3,(H,14,15).
What are the key properties of 3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 230.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 169498783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).