N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide

C22H29N3O2 — CID 23723717

IUPACN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-15(26)8-13-21(27)24-19-6-5-7-20-18(19)14-23-25(20)17-11-9-16(10-12-17)22(2,3)4/h9-12,14,19H,5-8,13H2,1-4H3,(H,24,27)
InChIKeyCSEYVYTYCITEMH-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.03
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide

N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide (PubChem CID 23723717) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide
PubChem CID23723717
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-15(26)8-13-21(27)24-19-6-5-7-20-18(19)14-23-25(20)17-11-9-16(10-12-17)22(2,3)4/h9-12,14,19H,5-8,13H2,1-4H3,(H,24,27)
InChIKeyCSEYVYTYCITEMH-UHFFFAOYSA-N
XLogP4.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251119
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723494
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethyl-3-pyrazolecarboxamide
CID 24792000
N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45269261
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 59251088
n-({4-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]phenyl}methyl)propanamide
CID 50992932
1-[3-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propyl]-2-pyrrolidinone
CID 16191024
N-cyclohexyl-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide
CID 20885377
4-(5-Methyl-1H-indazol-1-YL)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 22510125
N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide
CID 22510145
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-butenamide
CID 23723377

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide (CID 23723717) is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide is CC(=O)CCC(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide?
The InChIKey is CSEYVYTYCITEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15(26)8-13-21(27)24-19-6-5-7-20-18(19)14-23-25(20)17-11-9-16(10-12-17)22(2,3)4/h9-12,14,19H,5-8,13H2,1-4H3,(H,24,27).
What are the key properties of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide?
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide has a molecular weight of 367.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopentanamide is sourced from PubChem (CID 23723717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).