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

C18H18N2 — CID 71495985

IUPAC3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESc1ccc2c(Cc3n[nH]c4c3CCCC4)cccc2c1
InChIInChI=1S/C18H18N2/c1-2-9-15-13(6-1)7-5-8-14(15)12-18-16-10-3-4-11-17(16)19-20-18/h1-2,5-9H,3-4,10-12H2,(H,19,20)
InChIKeyIVRWNLVLNHIHDW-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.03
Rot. Bonds2

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

3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 71495985) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID71495985
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESc1ccc2c(Cc3n[nH]c4c3CCCC4)cccc2c1
InChIInChI=1S/C18H18N2/c1-2-9-15-13(6-1)7-5-8-14(15)12-18-16-10-3-4-11-17(16)19-20-18/h1-2,5-9H,3-4,10-12H2,(H,19,20)
InChIKeyIVRWNLVLNHIHDW-UHFFFAOYSA-N
XLogP4.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541
N-(2-naphthalen-1-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821632
3-[(2-bromo-6-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 101219134
4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
CID 3163200
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
CID 66760372
CID 66760372
2-(1,3-benzoxazol-2-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide
CID 131916576
2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole
CID 87180547
1-[3-(naphthalene-1-carbonyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 45187560
5-(naphthalen-1-ylmethyl)-2H-tetrazole
CID 2988287
methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azanium
CID 7236612
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 4436

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole (CID 71495985) is 3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole is c1ccc2c(Cc3n[nH]c4c3CCCC4)cccc2c1.
What is the InChIKey of 3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is IVRWNLVLNHIHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-9-15-13(6-1)7-5-8-14(15)12-18-16-10-3-4-11-17(16)19-20-18/h1-2,5-9H,3-4,10-12H2,(H,19,20).
What are the key properties of 3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole?
3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 262.36 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 71495985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).