[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone

C27H26N4O2 — CID 38358170

IUPAC[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCc1c(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cnn1-c1ccccc1
InChIInChI=1S/C27H26N4O2/c1-2-25-24(19-28-31(25)21-11-4-3-5-12-21)27(33)30-17-15-29(16-18-30)26(32)23-14-8-10-20-9-6-7-13-22(20)23/h3-14,19H,2,15-18H2,1H3
InChIKeyATKCHIKGQOYXLT-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.19
Rot. Bonds4

About [4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone

[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 38358170) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is [4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID38358170
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCc1c(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cnn1-c1ccccc1
InChIInChI=1S/C27H26N4O2/c1-2-25-24(19-28-31(25)21-11-4-3-5-12-21)27(33)30-17-15-29(16-18-30)26(32)23-14-8-10-20-9-6-7-13-22(20)23/h3-14,19H,2,15-18H2,1H3
InChIKeyATKCHIKGQOYXLT-UHFFFAOYSA-N
XLogP4.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone (CID 38358170) is [4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone is CCc1c(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cnn1-c1ccccc1.
What is the InChIKey of [4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is ATKCHIKGQOYXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-2-25-24(19-28-31(25)21-11-4-3-5-12-21)27(33)30-17-15-29(16-18-30)26(32)23-14-8-10-20-9-6-7-13-22(20)23/h3-14,19H,2,15-18H2,1H3.
What are the key properties of [4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 438.53 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 38358170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).