N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide

C14H17N3O2 — CID 114631317

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-14(2)10(7-11(14)18)15-13(19)12-8-5-3-4-6-9(8)16-17-12/h3-6,10-11,18H,7H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyWUVRSUJKJWQVQV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.45
Rot. Bonds2

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide (PubChem CID 114631317) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide
PubChem CID114631317
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-14(2)10(7-11(14)18)15-13(19)12-8-5-3-4-6-9(8)16-17-12/h3-6,10-11,18H,7H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyWUVRSUJKJWQVQV-UHFFFAOYSA-N
XLogP1.45
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide (CID 114631317) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide is CC1(C)C(O)CC1NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide?
The InChIKey is WUVRSUJKJWQVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2)10(7-11(14)18)15-13(19)12-8-5-3-4-6-9(8)16-17-12/h3-6,10-11,18H,7H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 114631317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).