methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate

C9H13N3O2 — CID 83907781

IUPACmethyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate
SMILESCOC(=O)C1(N)CCc2n[nH]c(C)c21
InChIInChI=1S/C9H13N3O2/c1-5-7-6(12-11-5)3-4-9(7,10)8(13)14-2/h3-4,10H2,1-2H3,(H,11,12)
InChIKeyXHMYIBXHIDZPKP-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.01
Rot. Bonds1

About methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate

methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate (PubChem CID 83907781) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate
PubChem CID83907781
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate
SMILESCOC(=O)C1(N)CCc2n[nH]c(C)c21
InChIInChI=1S/C9H13N3O2/c1-5-7-6(12-11-5)3-4-9(7,10)8(13)14-2/h3-4,10H2,1-2H3,(H,11,12)
InChIKeyXHMYIBXHIDZPKP-UHFFFAOYSA-N
XLogP-0.01
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83858867
Ethyl 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetate
CID 71185076
ethyl 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetate
CID 71185234
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861625
5-amino-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid
CID 112483025
Methyl 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-5-carboxylate
CID 134168016
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}propanoic acid
CID 82408991
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}butanoic acid
CID 83858872
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-2-methylpropanoic acid
CID 83858874
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-3-methylbutanoic acid
CID 83858877
3-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861612
2-(3-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861615

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate?
The IUPAC name of methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate (CID 83907781) is methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate?
The canonical SMILES for methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate is COC(=O)C1(N)CCc2n[nH]c(C)c21.
What is the InChIKey of methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate?
The InChIKey is XHMYIBXHIDZPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-7-6(12-11-5)3-4-9(7,10)8(13)14-2/h3-4,10H2,1-2H3,(H,11,12).
What are the key properties of methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate?
methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate has a molecular weight of 195.22 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate is sourced from PubChem (CID 83907781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).