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

C14H16N2O2 — CID 169498792

IUPAC3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCOc1ccc(Cc2n[nH]c3c2COCC3)cc1
InChIInChI=1S/C14H16N2O2/c1-17-11-4-2-10(3-5-11)8-14-12-9-18-7-6-13(12)15-16-14/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyWTOCDCUZUYFEDU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.08
Rot. Bonds3

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

3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 169498792) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID169498792
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCOc1ccc(Cc2n[nH]c3c2COCC3)cc1
InChIInChI=1S/C14H16N2O2/c1-17-11-4-2-10(3-5-11)8-14-12-9-18-7-6-13(12)15-16-14/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyWTOCDCUZUYFEDU-UHFFFAOYSA-N
XLogP2.08
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498684
3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 31161158
3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498783
[2-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473449
7-amino-4-[(4-methoxyphenyl)methyl]-2H-phthalazin-1-one
CID 69152626
1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine
CID 167840487
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71709201
2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine
CID 136562635
N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 146138623
N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 61374743
8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid
CID 110458496
N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110415041

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 169498792) is 3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is COc1ccc(Cc2n[nH]c3c2COCC3)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is WTOCDCUZUYFEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-11-4-2-10(3-5-11)8-14-12-9-18-7-6-13(12)15-16-14/h2-5H,6-9H2,1H3,(H,15,16).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 244.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 169498792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).