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

C29H26N4O — CID 155567316

IUPAC[4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(C(c2ccc3ccccc3c2)c2ccc3ccccc3c2)CC1)n1cccn1
InChIInChI=1S/C29H26N4O/c34-29(33-15-5-14-30-33)32-18-16-31(17-19-32)28(26-12-10-22-6-1-3-8-24(22)20-26)27-13-11-23-7-2-4-9-25(23)21-27/h1-15,20-21,28H,16-19H2
InChIKeySWIQFPNACTYACJ-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.56
Rot. Bonds3

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

[4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone (PubChem CID 155567316) has the molecular formula C29H26N4O and a molecular weight of 446.55 g/mol. Its IUPAC name is [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
PubChem CID155567316
Molecular FormulaC29H26N4O
Molecular Weight446.55 g/mol
Exact Mass446.21
IUPAC Name[4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(C(c2ccc3ccccc3c2)c2ccc3ccccc3c2)CC1)n1cccn1
InChIInChI=1S/C29H26N4O/c34-29(33-15-5-14-30-33)32-18-16-31(17-19-32)28(26-12-10-22-6-1-3-8-24(22)20-26)27-13-11-23-7-2-4-9-25(23)21-27/h1-15,20-21,28H,16-19H2
InChIKeySWIQFPNACTYACJ-UHFFFAOYSA-N
XLogP5.56
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-(1,1'-Biphenyl)-4-yl-1H-1,2,3-triazol-1-yl)(2-(phenylmethyl)-1-piperidinyl)-methanone
CID 53364540
(4-Bromopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526510
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-[1,1'-biphenyl]-4-yl-1H-1,2,3-triazol-1-yl)[(2R)-2-(phenylmethyl)-1-piperidinyl]-methanone
CID 97289145
(4-Benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
CID 118526402
(4-Methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526739
[4-(Naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118526755
(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
(4-[1,1'-biphenyl]-4-yl-1H-1,2,3-triazol-1-yl)[(2S)-2-(phenylmethyl)-1-piperidinyl]-methanone
CID 97289144

Frequently Asked Questions

What is the IUPAC name of [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone (CID 155567316) is [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone is O=C(N1CCN(C(c2ccc3ccccc3c2)c2ccc3ccccc3c2)CC1)n1cccn1.
What is the InChIKey of [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone?
The InChIKey is SWIQFPNACTYACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O/c34-29(33-15-5-14-30-33)32-18-16-31(17-19-32)28(26-12-10-22-6-1-3-8-24(22)20-26)27-13-11-23-7-2-4-9-25(23)21-27/h1-15,20-21,28H,16-19H2.
What are the key properties of [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone?
[4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone has a molecular weight of 446.55 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 155567316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).