methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate

C9H13N3O2 — CID 83907783

IUPACmethyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate
SMILESCOC(=O)C1(N)CCc2nn(C)cc21
InChIInChI=1S/C9H13N3O2/c1-12-5-6-7(11-12)3-4-9(6,10)8(13)14-2/h5H,3-4,10H2,1-2H3
InChIKeyGYFBTOGFHLYDOC-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.31
Rot. Bonds1

About methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate

methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate (PubChem CID 83907783) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate
PubChem CID83907783
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate
SMILESCOC(=O)C1(N)CCc2nn(C)cc21
InChIInChI=1S/C9H13N3O2/c1-12-5-6-7(11-12)3-4-9(6,10)8(13)14-2/h5H,3-4,10H2,1-2H3
InChIKeyGYFBTOGFHLYDOC-UHFFFAOYSA-N
XLogP-0.31
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate?
The IUPAC name of methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate (CID 83907783) is methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate?
The canonical SMILES for methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate is COC(=O)C1(N)CCc2nn(C)cc21.
What is the InChIKey of methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate?
The InChIKey is GYFBTOGFHLYDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-5-6-7(11-12)3-4-9(6,10)8(13)14-2/h5H,3-4,10H2,1-2H3.
What are the key properties of methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate?
methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate has a molecular weight of 195.22 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate is sourced from PubChem (CID 83907783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).