N-(1H-indazol-5-yl)-4,4-dimethylpentanamide

C14H19N3O — CID 155236090

IUPACN-(1H-indazol-5-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N3O/c1-14(2,3)7-6-13(18)16-11-4-5-12-10(8-11)9-15-17-12/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyRSPMTKMGGAEOKW-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.33
Rot. Bonds3

About N-(1H-indazol-5-yl)-4,4-dimethylpentanamide

N-(1H-indazol-5-yl)-4,4-dimethylpentanamide (PubChem CID 155236090) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-4,4-dimethylpentanamide
PubChem CID155236090
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1H-indazol-5-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N3O/c1-14(2,3)7-6-13(18)16-11-4-5-12-10(8-11)9-15-17-12/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyRSPMTKMGGAEOKW-UHFFFAOYSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide
CID 25178128
2-(4-hydroxyphenyl)-N-(1H-indazol-5-yl)acetamide
CID 23570801
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide
CID 18447148
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide
CID 172640352
2-(1-aminocyclobutyl)-N-(1H-indazol-5-yl)acetamide
CID 79851440
3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide
CID 134037444

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-4,4-dimethylpentanamide?
The IUPAC name of N-(1H-indazol-5-yl)-4,4-dimethylpentanamide (CID 155236090) is N-(1H-indazol-5-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(1H-indazol-5-yl)-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-4,4-dimethylpentanamide?
The InChIKey is RSPMTKMGGAEOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)7-6-13(18)16-11-4-5-12-10(8-11)9-15-17-12/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(1H-indazol-5-yl)-4,4-dimethylpentanamide?
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide has a molecular weight of 245.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 155236090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).