5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole

C9H14N2O — CID 123676414

IUPAC5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
SMILESCOCC1Cc2n[nH]c(C)c2C1
InChIInChI=1S/C9H14N2O/c1-6-8-3-7(5-12-2)4-9(8)11-10-6/h7H,3-5H2,1-2H3,(H,10,11)
InChIKeyRVAYNIIZJXDQPY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.08
Rot. Bonds2

About 5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole

5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole (PubChem CID 123676414) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
PubChem CID123676414
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
SMILESCOCC1Cc2n[nH]c(C)c2C1
InChIInChI=1S/C9H14N2O/c1-6-8-3-7(5-12-2)4-9(8)11-10-6/h7H,3-5H2,1-2H3,(H,10,11)
InChIKeyRVAYNIIZJXDQPY-UHFFFAOYSA-N
XLogP1.08
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-3,3-difluoropropan-1-ol
CID 165734718
Isoxazole, 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-
CID 135494476
4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 19382660
4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole
CID 19382661
3-(methoxymethyl)-7-(3H-1,2,4-triazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
CID 58906759
(2S,3R,4R)-7-(ethylperoxymethyl)-3-(methoxymethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene
CID 89135584
3,6-Dimethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 89729332
Methyl 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-5-carboxylate
CID 134168016
3,6-Dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane
CID 143872758
6-Ethyl-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 163390349
(6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 174137267
(6R)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 175621412

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The IUPAC name of 5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole (CID 123676414) is 5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole.
What is the SMILES notation for 5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The canonical SMILES for 5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole is COCC1Cc2n[nH]c(C)c2C1.
What is the InChIKey of 5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The InChIKey is RVAYNIIZJXDQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-8-3-7(5-12-2)4-9(8)11-10-6/h7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole has a molecular weight of 166.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole is sourced from PubChem (CID 123676414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).