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

C8H11N3O2 — CID 83906474

IUPAC4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(N)(C(=O)O)CC2
InChIInChI=1S/C8H11N3O2/c1-4-6-5(11-10-4)2-3-8(6,9)7(12)13/h2-3,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyNBBMJHPZEMCUDI-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.10
Rot. Bonds1

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

4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83906474) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83906474
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(N)(C(=O)O)CC2
InChIInChI=1S/C8H11N3O2/c1-4-6-5(11-10-4)2-3-8(6,9)7(12)13/h2-3,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyNBBMJHPZEMCUDI-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83858867
2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
CID 71185034
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861625
2-[3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid
CID 83861629
5-amino-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid
CID 112483025
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-5-carboxylic acid
CID 112485977
3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-2,2-difluoropropanoic acid
CID 165629901
3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-3,3-difluoropropanoic acid
CID 165633925
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-2,2-difluoroacetic acid
CID 165751368
1-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-2,2-difluorocyclopropane-1-carboxylic acid
CID 165751370
3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}propanoic acid
CID 21258055
4-Methyl-1,4,5,6-tetrahydrocyclopenta[C]pyrazole-3-carboxylic acid
CID 55265289

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 83906474) is 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid is Cc1[nH]nc2c1C(N)(C(=O)O)CC2.
What is the InChIKey of 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is NBBMJHPZEMCUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-6-5(11-10-4)2-3-8(6,9)7(12)13/h2-3,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83906474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).