4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid

C8H11N3O2 — CID 83906477

IUPAC4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
SMILESCn1ncc2c1CCC2(N)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-11-6-2-3-8(9,7(12)13)5(6)4-10-11/h4H,2-3,9H2,1H3,(H,12,13)
InChIKeyIOEBTHNSPQXYDQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.40
Rot. Bonds1

About 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid

4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid (PubChem CID 83906477) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
PubChem CID83906477
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
SMILESCn1ncc2c1CCC2(N)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-11-6-2-3-8(9,7(12)13)5(6)4-10-11/h4H,2-3,9H2,1H3,(H,12,13)
InChIKeyIOEBTHNSPQXYDQ-UHFFFAOYSA-N
XLogP-0.40
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-5-carboxylic acid
CID 82414341
4-amino-3-(1,5-dimethyl-1H-pyrazol-4-yl)butanoic acid
CID 79595352
4-Amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoic acid
CID 79595680
2-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl)acetic acid
CID 82409113
2-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 82409114
2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 82414342
4-Amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid
CID 83094352
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861433
2-(1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
CID 83861437
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
1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861578

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
The IUPAC name of 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid (CID 83906477) is 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid is Cn1ncc2c1CCC2(N)C(=O)O.
What is the InChIKey of 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
The InChIKey is IOEBTHNSPQXYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-6-2-3-8(9,7(12)13)5(6)4-10-11/h4H,2-3,9H2,1H3,(H,12,13).
What are the key properties of 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83906477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).