N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride

C15H18ClN3O — CID 44667187

IUPACN-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H17N3O.ClH/c19-15(16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)17-18-14;/h1-3,6-7H,4-5,8-10H2,(H,16,19)(H,17,18);1H
InChIKeyLANQUZBDRKGGMT-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.64
Rot. Bonds3

About N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride

N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 44667187) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
PubChem CID44667187
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H17N3O.ClH/c19-15(16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)17-18-14;/h1-3,6-7H,4-5,8-10H2,(H,16,19)(H,17,18);1H
InChIKeyLANQUZBDRKGGMT-UHFFFAOYSA-N
XLogP2.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112841611
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
N-(2-naphthalen-1-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821632
N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388851
N-(2-naphthalen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821536
N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 3455772
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119072224
N-[(2-oxo-1H-quinolin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110608823

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride (CID 44667187) is N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is LANQUZBDRKGGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c19-15(16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)17-18-14;/h1-3,6-7H,4-5,8-10H2,(H,16,19)(H,17,18);1H.
What are the key properties of N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride?
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.64, 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-3-carboxamide;hydrochloride is sourced from PubChem (CID 44667187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).