4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid

C11H15N3O2 — CID 83910532

IUPAC4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C11H15N3O2/c12-11(10(15)16)5-1-2-7-8(11)9(14-13-7)6-3-4-6/h6H,1-5,12H2,(H,13,14)(H,15,16)
InChIKeyDRCGUQKBLLMUGX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.86
Rot. Bonds2

About 4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid

4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83910532) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83910532
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C11H15N3O2/c12-11(10(15)16)5-1-2-7-8(11)9(14-13-7)6-3-4-6/h6H,1-5,12H2,(H,13,14)(H,15,16)
InChIKeyDRCGUQKBLLMUGX-UHFFFAOYSA-N
XLogP0.86
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid
CID 648852
5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 655114
3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanoic acid
CID 6483899
5-Ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 3159641
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
5-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 57561759
(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 7099386
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
3-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid hydrochloride
CID 177800146
2-[3-(Trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid
CID 71184893
2-[4,4-difluoro-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-1H-cyclopropa[g]indazol-5-yl]acetic acid
CID 71185029
2-[3-(Difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid
CID 71185413

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83910532) is 4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid is NC1(C(=O)O)CCCc2[nH]nc(C3CC3)c21.
What is the InChIKey of 4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is DRCGUQKBLLMUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-11(10(15)16)5-1-2-7-8(11)9(14-13-7)6-3-4-6/h6H,1-5,12H2,(H,13,14)(H,15,16).
What are the key properties of 4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
4-amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.86, 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-1,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83910532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).