methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate

C17H15N3O3 — CID 52941226

IUPACmethyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H15N3O3/c1-23-17(22)16-14(10-18-20-16)19-15(21)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyYDBPIRPSGIJXSJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.53
Rot. Bonds4

About methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate

methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate (PubChem CID 52941226) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate
PubChem CID52941226
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H15N3O3/c1-23-17(22)16-14(10-18-20-16)19-15(21)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyYDBPIRPSGIJXSJ-UHFFFAOYSA-N
XLogP2.53
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 115680720
methyl 4-(3,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylate
CID 154947792
dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 7314091
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N-(2,4-dimethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304049
N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 78914172
N-(6-chloro-2-pyridinyl)-2-naphthalen-1-ylacetamide
CID 115669454
methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 86997342
methyl 4-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 146090075
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304411
N-(2-bromophenyl)-2-naphthalen-1-ylacetamide
CID 835456

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate (CID 52941226) is methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate?
The InChIKey is YDBPIRPSGIJXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-17(22)16-14(10-18-20-16)19-15(21)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate?
methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 52941226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).