N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H19N3O — CID 112820541

IUPACN-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H19N3O/c23-19(18-16-10-3-4-11-17(16)21-22-18)20-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9H,3-4,10-12H2,(H,20,23)(H,21,22)
InChIKeyTXPOITHCUWKHBH-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.37
Rot. Bonds3

About N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 112820541) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID112820541
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H19N3O/c23-19(18-16-10-3-4-11-17(16)21-22-18)20-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9H,3-4,10-12H2,(H,20,23)(H,21,22)
InChIKeyTXPOITHCUWKHBH-UHFFFAOYSA-N
XLogP3.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-naphthalen-1-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821632
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
N-[(2-oxo-1H-quinolin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110608823
N-(2-naphthalen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821536
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112841611
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 71495985
N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 138380731
N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 75452688
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110423268

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 112820541) is N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NCc1cccc2ccccc12)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is TXPOITHCUWKHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(18-16-10-3-4-11-17(16)21-22-18)20-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9H,3-4,10-12H2,(H,20,23)(H,21,22).
What are the key properties of N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 112820541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).