N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C15H17N3O — CID 163295899

IUPACN-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccccc1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C15H17N3O/c19-15(16-9-11-4-2-1-3-5-11)12-6-7-14-13(8-12)10-17-18-14/h1-5,10,12H,6-9H2,(H,16,19)(H,17,18)
InChIKeyTYEXNFLCRRTMKO-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.83
Rot. Bonds3

About N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 163295899) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID163295899
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccccc1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C15H17N3O/c19-15(16-9-11-4-2-1-3-5-11)12-6-7-14-13(8-12)10-17-18-14/h1-5,10,12H,6-9H2,(H,16,19)(H,17,18)
InChIKeyTYEXNFLCRRTMKO-UHFFFAOYSA-N
XLogP1.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 75390383
benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate
CID 175325896
N-benzylcyclobutanecarboxamide
CID 730128
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
N-benzylcyclopentanecarboxamide
CID 835634
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 127667649
(6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
CID 129416494
N-benzylpiperidine-4-carboxamide
CID 3868064
trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid
CID 154871702
ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 86330706
4-amino-N-benzyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 56666872
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 163295899) is N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is O=C(NCc1ccccc1)C1CCc2[nH]ncc2C1.
What is the InChIKey of N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is TYEXNFLCRRTMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(16-9-11-4-2-1-3-5-11)12-6-7-14-13(8-12)10-17-18-14/h1-5,10,12H,6-9H2,(H,16,19)(H,17,18).
What are the key properties of N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 163295899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).