4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole

C24H24N2 — CID 58302956

IUPAC4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole
SMILESCCCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H24N2/c1-2-3-8-24(22-14-11-18-6-4-5-7-21(18)15-22)20-12-9-19(10-13-20)23-16-25-26-17-23/h4-7,9-17,24H,2-3,8H2,1H3,(H,25,26)
InChIKeyMFDUOHZIJNOLRP-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.55
Rot. Bonds6

About 4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole

4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole (PubChem CID 58302956) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole
PubChem CID58302956
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole
SMILESCCCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H24N2/c1-2-3-8-24(22-14-11-18-6-4-5-7-21(18)15-22)20-12-9-19(10-13-20)23-16-25-26-17-23/h4-7,9-17,24H,2-3,8H2,1H3,(H,25,26)
InChIKeyMFDUOHZIJNOLRP-UHFFFAOYSA-N
XLogP6.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole
CID 141400691
4-[4-(1-phenylethyl)phenyl]-1H-pyrazole
CID 70840207
3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 11772358
6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine
CID 164939367
2-[1-[4-(1H-pyrazol-4-yl)phenyl]propyl]pyridine
CID 143373997
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
3-naphthalen-2-yl-3-phenylpropan-1-amine
CID 67204664
4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
CID 168867710
3-[4-(1H-pyrazol-4-yl)phenyl]-3-thiophen-2-ylpropan-1-amine
CID 59446749
3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 59446651
2-[1-fluoro-2-[4-(4-prop-2-enoxyphenyl)phenyl]hexyl]naphthalene
CID 174430446
N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)phenyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 59446755

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole?
The IUPAC name of 4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole (CID 58302956) is 4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole?
The canonical SMILES for 4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole is CCCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole?
The InChIKey is MFDUOHZIJNOLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-2-3-8-24(22-14-11-18-6-4-5-7-21(18)15-22)20-12-9-19(10-13-20)23-16-25-26-17-23/h4-7,9-17,24H,2-3,8H2,1H3,(H,25,26).
What are the key properties of 4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole?
4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole has a molecular weight of 340.47 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 58302956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).