4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid

C8H11N3O2 — CID 112714721

IUPAC4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCC1Cc2[nH]ncc2C1(N)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-4-2-6-5(3-10-11-6)8(4,9)7(12)13/h3-4H,2,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyWAQDLOAHOWTRAD-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.16
Rot. Bonds1

About 4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid

4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid (PubChem CID 112714721) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
PubChem CID112714721
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCC1Cc2[nH]ncc2C1(N)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-4-2-6-5(3-10-11-6)8(4,9)7(12)13/h3-4H,2,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyWAQDLOAHOWTRAD-UHFFFAOYSA-N
XLogP-0.16
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid
CID 69472155
3-(2-Methylpropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid
CID 69476796
Methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
CID 102568805
(3S)-3-amino-3-(5-ethyl-1H-pyrazol-4-yl)butanoic acid
CID 122538027
Ethyl 2,4,5,6-Tetrahydrocyclopenta[c]pyrazole-5-carboxylate
CID 167467801
3-(3-ethyl-1H-pyrazol-4-yl)propanoic acid
CID 23006023
Ethyl 3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-8-carboxylate
CID 55280518
5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid
CID 82413915
2-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-6-yl)acetic acid
CID 82414310
2-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 82414343
2-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
CID 82414344
1H,4H,5H,6H-cyclopenta[c]pyrazole-6-carboxylic acid
CID 82417185

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
The IUPAC name of 4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid (CID 112714721) is 4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid is CC1Cc2[nH]ncc2C1(N)C(=O)O.
What is the InChIKey of 4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
The InChIKey is WAQDLOAHOWTRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-2-6-5(3-10-11-6)8(4,9)7(12)13/h3-4H,2,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 112714721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).