4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid

C10H13N3O2 — CID 83908943

IUPAC4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C10H13N3O2/c11-10(9(14)15)4-3-6-7(10)8(13-12-6)5-1-2-5/h5H,1-4,11H2,(H,12,13)(H,14,15)
InChIKeyYLNISVIAJOOQDV-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.47
Rot. Bonds2

About 4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid

4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83908943) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83908943
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C10H13N3O2/c11-10(9(14)15)4-3-6-7(10)8(13-12-6)5-1-2-5/h5H,1-4,11H2,(H,12,13)(H,14,15)
InChIKeyYLNISVIAJOOQDV-UHFFFAOYSA-N
XLogP0.47
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.47
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
2-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
CID 71185055
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}-4,4,4-trifluorobutanoic acid
CID 165629906
3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-4,4-difluorobutanoic acid
CID 165675145
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
1H-Cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-3-carboxylic acid, 3b,4,4a,5-tetrahydro-
CID 11586347

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 83908943) is 4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid is NC1(C(=O)O)CCc2[nH]nc(C3CC3)c21.
What is the InChIKey of 4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is YLNISVIAJOOQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-10(9(14)15)4-3-6-7(10)8(13-12-6)5-1-2-5/h5H,1-4,11H2,(H,12,13)(H,14,15).
What are the key properties of 4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83908943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).