methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate

C15H18N4O3 — CID 118306589

IUPACmethyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate
SMILESCOC(=O)NCCCn1nc(C(C)=O)cc1-c1ccccn1
InChIInChI=1S/C15H18N4O3/c1-11(20)13-10-14(12-6-3-4-7-16-12)19(18-13)9-5-8-17-15(21)22-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21)
InChIKeyNSRBTLUFOBSQDW-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.89
Rot. Bonds6

About methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate

methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate (PubChem CID 118306589) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate
PubChem CID118306589
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Namemethyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate
SMILESCOC(=O)NCCCn1nc(C(C)=O)cc1-c1ccccn1
InChIInChI=1S/C15H18N4O3/c1-11(20)13-10-14(12-6-3-4-7-16-12)19(18-13)9-5-8-17-15(21)22-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21)
InChIKeyNSRBTLUFOBSQDW-UHFFFAOYSA-N
XLogP1.89
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide
CID 118313306
methyl 4-fluoro-1-[3-[(2-hydroxyacetyl)amino]propyl]-5-pyridin-2-ylpyrazole-3-carboxylate;methyl 1-[3-[(2-hydroxyacetyl)amino]propyl]-5-pyridin-2-ylpyrazole-3-carboxylate
CID 162136997
1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone
CID 174154263
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate
CID 118313436
methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(3-fluorophenyl)pyrazol-1-yl]propyl]carbamate
CID 90065264
methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate
CID 23143755
N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide
CID 71193150
1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128496
(E)-3-(3,4-dimethoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]prop-2-enamide
CID 71797641
phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate
CID 73389180
ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine
CID 155725881

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate?
The IUPAC name of methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate (CID 118306589) is methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate.
What is the SMILES notation for methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate?
The canonical SMILES for methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate is COC(=O)NCCCn1nc(C(C)=O)cc1-c1ccccn1.
What is the InChIKey of methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate?
The InChIKey is NSRBTLUFOBSQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11(20)13-10-14(12-6-3-4-7-16-12)19(18-13)9-5-8-17-15(21)22-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21).
What are the key properties of methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate?
methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate has a molecular weight of 302.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate is sourced from PubChem (CID 118306589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).