N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C14H23N3O2 — CID 75483762

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H23N3O2/c1-3-14(2,8-9-18)15-13(19)12-10-6-4-5-7-11(10)16-17-12/h18H,3-9H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyALGBSZNAVQUQDG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.57
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 75483762) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID75483762
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H23N3O2/c1-3-14(2,8-9-18)15-13(19)12-10-6-4-5-7-11(10)16-17-12/h18H,3-9H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyALGBSZNAVQUQDG-UHFFFAOYSA-N
XLogP1.57
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 75483762) is N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CCC(C)(CCO)NC(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is ALGBSZNAVQUQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-14(2,8-9-18)15-13(19)12-10-6-4-5-7-11(10)16-17-12/h18H,3-9H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 75483762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).