5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide

C11H12F2N4O2 — CID 106164289

IUPAC5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)NCC(F)(F)CO)c2c1
InChIInChI=1S/C11H12F2N4O2/c12-11(13,5-18)4-15-10(19)9-7-3-6(14)1-2-8(7)16-17-9/h1-3,18H,4-5,14H2,(H,15,19)(H,16,17)
InChIKeyQPTSZKYITOMQCS-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.50
Rot. Bonds4

About 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide

5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide (PubChem CID 106164289) has the molecular formula C11H12F2N4O2 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide
PubChem CID106164289
Molecular FormulaC11H12F2N4O2
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)NCC(F)(F)CO)c2c1
InChIInChI=1S/C11H12F2N4O2/c12-11(13,5-18)4-15-10(19)9-7-3-6(14)1-2-8(7)16-17-9/h1-3,18H,4-5,14H2,(H,15,19)(H,16,17)
InChIKeyQPTSZKYITOMQCS-UHFFFAOYSA-N
XLogP0.50
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide
CID 106289149
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide
CID 62523247
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide
CID 55083677
5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide
CID 61141140
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979
5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 94177019
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
CID 104616617
5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide
CID 60905598
5-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 61140575
5-amino-N-(2,2,3,3-tetramethylcyclopropyl)-1H-indazole-3-carboxamide
CID 79351862
5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 62997565

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide (CID 106164289) is 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide is Nc1ccc2[nH]nc(C(=O)NCC(F)(F)CO)c2c1.
What is the InChIKey of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide?
The InChIKey is QPTSZKYITOMQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2/c12-11(13,5-18)4-15-10(19)9-7-3-6(14)1-2-8(7)16-17-9/h1-3,18H,4-5,14H2,(H,15,19)(H,16,17).
What are the key properties of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide?
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide has a molecular weight of 270.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 106164289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).