1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile

C20H19N5O — CID 118526557

IUPAC1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C20H19N5O/c21-12-17-13-22-25(15-17)20(26)24-9-7-23(8-10-24)14-16-5-6-18-3-1-2-4-19(18)11-16/h1-6,11,13,15H,7-10,14H2
InChIKeyWUONWIDYVGZPKC-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.69
Rot. Bonds2

About 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile

1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile (PubChem CID 118526557) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile
PubChem CID118526557
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C20H19N5O/c21-12-17-13-22-25(15-17)20(26)24-9-7-23(8-10-24)14-16-5-6-18-3-1-2-4-19(18)11-16/h1-6,11,13,15H,7-10,14H2
InChIKeyWUONWIDYVGZPKC-UHFFFAOYSA-N
XLogP2.69
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Bromopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526510
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)-(4-methylpyrazol-1-yl)methanone
CID 118526594
(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
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
[4-(Dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 155561836
[4-(Dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
CID 155567316

Frequently Asked Questions

What is the IUPAC name of 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile (CID 118526557) is 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile is N#Cc1cnn(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile?
The InChIKey is WUONWIDYVGZPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-12-17-13-22-25(15-17)20(26)24-9-7-23(8-10-24)14-16-5-6-18-3-1-2-4-19(18)11-16/h1-6,11,13,15H,7-10,14H2.
What are the key properties of 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile?
1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile has a molecular weight of 345.41 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 118526557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).