methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate

C8H10N2O2 — CID 99996671

IUPACmethyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
SMILESCOC(=O)[C@@H]1Cc2cn[nH]c2C1
InChIInChI=1S/C8H10N2O2/c1-12-8(11)5-2-6-4-9-10-7(6)3-5/h4-5H,2-3H2,1H3,(H,9,10)/t5-/m1/s1
InChIKeyHNHHQCSMWFPQSN-RXMQYKEDSA-N
MW166.18 g/mol
LogP0.30
Rot. Bonds1

About methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate

methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate (PubChem CID 99996671) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
PubChem CID99996671
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
SMILESCOC(=O)[C@@H]1Cc2cn[nH]c2C1
InChIInChI=1S/C8H10N2O2/c1-12-8(11)5-2-6-4-9-10-7(6)3-5/h4-5H,2-3H2,1H3,(H,9,10)/t5-/m1/s1
InChIKeyHNHHQCSMWFPQSN-RXMQYKEDSA-N
XLogP0.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 86330706
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 95566509
methyl 4-(1,4-dithiane-2-carbonyl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-6-carboxylate
CID 146077355
methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate
CID 177053844
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
methyl (2S)-2-(3,5-dimethylphenyl)-2-[[(6R)-4,5,6,7-tetrahydro-1H-indazole-6-carbonyl]amino]acetate
CID 124884147
methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate
CID 156536133
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 163295899
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924
[2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 97255820
5-O-tert-butyl 4-O-methyl (4R)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4,5-dicarboxylate
CID 147818184

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate?
The IUPAC name of methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate (CID 99996671) is methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate.
What is the SMILES notation for methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate?
The canonical SMILES for methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate is COC(=O)[C@@H]1Cc2cn[nH]c2C1.
What is the InChIKey of methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate?
The InChIKey is HNHHQCSMWFPQSN-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-8(11)5-2-6-4-9-10-7(6)3-5/h4-5H,2-3H2,1H3,(H,9,10)/t5-/m1/s1.
What are the key properties of methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate?
methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate is sourced from PubChem (CID 99996671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).