4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid

C11H15N3O2 — CID 83910534

IUPAC4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc2c(c1C1CC1)C(N)(C(=O)O)CC2
InChIInChI=1S/C11H15N3O2/c1-14-9(6-2-3-6)8-7(13-14)4-5-11(8,12)10(15)16/h6H,2-5,12H2,1H3,(H,15,16)
InChIKeyXPNVUXKUHFDTHR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.48
Rot. Bonds2

About 4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid

4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83910534) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83910534
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc2c(c1C1CC1)C(N)(C(=O)O)CC2
InChIInChI=1S/C11H15N3O2/c1-14-9(6-2-3-6)8-7(13-14)4-5-11(8,12)10(15)16/h6H,2-5,12H2,1H3,(H,15,16)
InChIKeyXPNVUXKUHFDTHR-UHFFFAOYSA-N
XLogP0.48
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861572
2-fluoro-2-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 165493434
(2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid
CID 172530040
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
2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861596
1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861599
2-{1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83862236

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid (CID 83910534) is 4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid is Cn1nc2c(c1C1CC1)C(N)(C(=O)O)CC2.
What is the InChIKey of 4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is XPNVUXKUHFDTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14-9(6-2-3-6)8-7(13-14)4-5-11(8,12)10(15)16/h6H,2-5,12H2,1H3,(H,15,16).
What are the key properties of 4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83910534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).