[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone

C19H20N4O — CID 118526755

IUPAC[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cccn1
InChIInChI=1S/C19H20N4O/c24-19(23-9-3-8-20-23)22-12-10-21(11-13-22)15-16-6-7-17-4-1-2-5-18(17)14-16/h1-9,14H,10-13,15H2
InChIKeyYLXCAQDUFRLKBA-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.82
Rot. Bonds2

About [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone

[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone (PubChem CID 118526755) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
PubChem CID118526755
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cccn1
InChIInChI=1S/C19H20N4O/c24-19(23-9-3-8-20-23)22-12-10-21(11-13-22)15-16-6-7-17-4-1-2-5-18(17)14-16/h1-9,14H,10-13,15H2
InChIKeyYLXCAQDUFRLKBA-UHFFFAOYSA-N
XLogP2.82
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Bromopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526510
Methyl 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylate
CID 118526555
1-[4-(Naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526557
1-[4-[(4-Phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526559
(4-Iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526966
(4-Benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
CID 118526402
(4-Benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
CID 118526594
(4-Methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526739
(4-Methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 118526861
[4-[(4-Phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118531126
1-[4-(Dinaphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 155557420
[4-(Dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 155561836

Frequently Asked Questions

What is the IUPAC name of [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone (CID 118526755) is [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone is O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cccn1.
What is the InChIKey of [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone?
The InChIKey is YLXCAQDUFRLKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(23-9-3-8-20-23)22-12-10-21(11-13-22)15-16-6-7-17-4-1-2-5-18(17)14-16/h1-9,14H,10-13,15H2.
What are the key properties of [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone?
[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone has a molecular weight of 320.40 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 118526755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).