N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide

C19H25N5O2 — CID 51124341

IUPACN-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide
SMILESCC(C)(C)n1ncc2c1CCCC2NC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C19H25N5O2/c1-19(2,3)24-16-9-5-8-15(14(16)11-21-24)23-17(25)12-6-4-7-13(10-12)22-18(20)26/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H,23,25)(H3,20,22,26)
InChIKeyQGHLTOOCAILSLC-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.94
Rot. Bonds3

About N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide

N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide (PubChem CID 51124341) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide
PubChem CID51124341
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide
SMILESCC(C)(C)n1ncc2c1CCCC2NC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C19H25N5O2/c1-19(2,3)24-16-9-5-8-15(14(16)11-21-24)23-17(25)12-6-4-7-13(10-12)22-18(20)26/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H,23,25)(H3,20,22,26)
InChIKeyQGHLTOOCAILSLC-UHFFFAOYSA-N
XLogP2.94
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 24790169
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[(S)-methylsulfinyl]benzamide
CID 94669043
3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 24790662
(2R)-N-[3-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 93252443
4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide
CID 95762906
(5S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94606900
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 94380801
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 160839490
4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 51961532
1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 52531470
2-[acetyl(methyl)amino]-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669068

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide?
The IUPAC name of N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide (CID 51124341) is N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide.
What is the SMILES notation for N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide?
The canonical SMILES for N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide is CC(C)(C)n1ncc2c1CCCC2NC(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide?
The InChIKey is QGHLTOOCAILSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-19(2,3)24-16-9-5-8-15(14(16)11-21-24)23-17(25)12-6-4-7-13(10-12)22-18(20)26/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H,23,25)(H3,20,22,26).
What are the key properties of N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide?
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide is sourced from PubChem (CID 51124341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).