benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate

C18H19N3O3 — CID 3766365

IUPACbenzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate
SMILESCc1ccncc1C(=O)N1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H19N3O3/c1-14-8-9-19-12-16(14)17(22)20-10-5-11-21(20)18(23)24-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyMDCKYPBMEAPQLY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.79
Rot. Bonds3

About benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate

benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate (PubChem CID 3766365) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate
PubChem CID3766365
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namebenzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate
SMILESCc1ccncc1C(=O)N1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H19N3O3/c1-14-8-9-19-12-16(14)17(22)20-10-5-11-21(20)18(23)24-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyMDCKYPBMEAPQLY-UHFFFAOYSA-N
XLogP2.79
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-cyanopyrazolidine-1-carboxylate
CID 11564880
benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate
CID 5005887
benzyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110798888
benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate
CID 3763008
benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate
CID 3538502
benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 118993560
1-O-benzyl 4-O-pyridin-3-yl piperazine-1,4-dicarboxylate
CID 58417900
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate?
The IUPAC name of benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate (CID 3766365) is benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate is Cc1ccncc1C(=O)N1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate?
The InChIKey is MDCKYPBMEAPQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-14-8-9-19-12-16(14)17(22)20-10-5-11-21(20)18(23)24-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3.
What are the key properties of benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate?
benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate is sourced from PubChem (CID 3766365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).