methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate

C10H15N3O2 — CID 83909317

IUPACmethyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate
SMILESCOC(=O)C1(N)CCc2c1c(C)nn2C
InChIInChI=1S/C10H15N3O2/c1-6-8-7(13(2)12-6)4-5-10(8,11)9(14)15-3/h4-5,11H2,1-3H3
InChIKeyXWJMOQBAHULGKX-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.00
Rot. Bonds1

About methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate

methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate (PubChem CID 83909317) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate
PubChem CID83909317
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate
SMILESCOC(=O)C1(N)CCc2c1c(C)nn2C
InChIInChI=1S/C10H15N3O2/c1-6-8-7(13(2)12-6)4-5-10(8,11)9(14)15-3/h4-5,11H2,1-3H3
InChIKeyXWJMOQBAHULGKX-UHFFFAOYSA-N
XLogP0.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861572
Methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571630
Methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79573077
Methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate
CID 79650897
Methyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate
CID 79651043
3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861440
3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861558
2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861562
1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861585
2-(1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
CID 83861589
3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861592
1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861599

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate?
The IUPAC name of methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate (CID 83909317) is methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate?
The canonical SMILES for methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate is COC(=O)C1(N)CCc2c1c(C)nn2C.
What is the InChIKey of methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate?
The InChIKey is XWJMOQBAHULGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-8-7(13(2)12-6)4-5-10(8,11)9(14)15-3/h4-5,11H2,1-3H3.
What are the key properties of methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate?
methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate is sourced from PubChem (CID 83909317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).