(4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone

C20H22N4O — CID 118526739

IUPAC(4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C20H22N4O/c1-16-13-21-24(14-16)20(25)23-10-8-22(9-11-23)15-17-6-7-18-4-2-3-5-19(18)12-17/h2-7,12-14H,8-11,15H2,1H3
InChIKeyDCDUAPIMELMNRT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.13
Rot. Bonds2

About (4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone

(4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 118526739) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID118526739
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C20H22N4O/c1-16-13-21-24(14-16)20(25)23-10-8-22(9-11-23)15-17-6-7-18-4-2-3-5-19(18)12-17/h2-7,12-14H,8-11,15H2,1H3
InChIKeyDCDUAPIMELMNRT-UHFFFAOYSA-N
XLogP3.13
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.13
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-(Naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118526755
1-(4-Benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile
CID 118526834
(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

Frequently Asked Questions

What is the IUPAC name of (4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone (CID 118526739) is (4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone is Cc1cnn(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of (4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is DCDUAPIMELMNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-13-21-24(14-16)20(25)23-10-8-22(9-11-23)15-17-6-7-18-4-2-3-5-19(18)12-17/h2-7,12-14H,8-11,15H2,1H3.
What are the key properties of (4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone?
(4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 118526739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).