1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide

C15H17N3O — CID 163294861

IUPAC1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide
SMILESNC(=O)C1CCc2c(cnn2Cc2ccccc2)C1
InChIInChI=1S/C15H17N3O/c16-15(19)12-6-7-14-13(8-12)9-17-18(14)10-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H2,16,19)
InChIKeyMSYAYUQGSDZXLA-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.52
Rot. Bonds3

About 1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide

1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide (PubChem CID 163294861) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide
PubChem CID163294861
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide
SMILESNC(=O)C1CCc2c(cnn2Cc2ccccc2)C1
InChIInChI=1S/C15H17N3O/c16-15(19)12-6-7-14-13(8-12)9-17-18(14)10-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H2,16,19)
InChIKeyMSYAYUQGSDZXLA-UHFFFAOYSA-N
XLogP1.52
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4,5,6,7-tetrahydroindazole-5-carbonyl chloride
CID 164753880
ethyl (5S)-1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxylate
CID 129354303
methyl (5R)-1-[(2,6-dichlorophenyl)methyl]-4,5,6,7-tetrahydroindazole-5-carboxylate
CID 97246984
1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine
CID 118578787
1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole
CID 164751868
ethyl 1-benzyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxylate
CID 90489688
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
CID 82588919
(1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone
CID 155092510
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
CID 175377648
1-benzyl-5-fluoropyrazole-4-carboxylic acid
CID 115031839
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide?
The IUPAC name of 1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide (CID 163294861) is 1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide?
The canonical SMILES for 1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide is NC(=O)C1CCc2c(cnn2Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide?
The InChIKey is MSYAYUQGSDZXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-15(19)12-6-7-14-13(8-12)9-17-18(14)10-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H2,16,19).
What are the key properties of 1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide?
1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide is sourced from PubChem (CID 163294861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).