2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide

C23H27N5O2 — CID 51046503

IUPAC2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cc(-c3cccc4ccccc34)n[nH]2)CC1
InChIInChI=1S/C23H27N5O2/c1-2-10-24-22(29)16-27-11-13-28(14-12-27)23(30)21-15-20(25-26-21)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,15H,2,10-14,16H2,1H3,(H,24,29)(H,25,26)
InChIKeyGCHNVTQXSVGBLV-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.51
Rot. Bonds6

About 2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide

2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 51046503) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide
PubChem CID51046503
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cc(-c3cccc4ccccc34)n[nH]2)CC1
InChIInChI=1S/C23H27N5O2/c1-2-10-24-22(29)16-27-11-13-28(14-12-27)23(30)21-15-20(25-26-21)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,15H,2,10-14,16H2,1H3,(H,24,29)(H,25,26)
InChIKeyGCHNVTQXSVGBLV-UHFFFAOYSA-N
XLogP2.51
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone
CID 46920455
N-butyl-2-[4-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]acetamide
CID 46920420
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 166001796
2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 39457294
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
N-benzyl-2-[4-(1-oxo-2H-isoquinoline-3-carbonyl)piperazin-1-yl]acetamide
CID 37118871
2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 55669099
(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8804679
4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide
CID 38381542
2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014592

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide (CID 51046503) is 2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2cc(-c3cccc4ccccc34)n[nH]2)CC1.
What is the InChIKey of 2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is GCHNVTQXSVGBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-10-24-22(29)16-27-11-13-28(14-12-27)23(30)21-15-20(25-26-21)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,15H,2,10-14,16H2,1H3,(H,24,29)(H,25,26).
What are the key properties of 2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 405.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 51046503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).