ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate

C16H20N4O3 — CID 126831834

IUPACethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1C1CCN(C(=O)c2cccn2C)C1
InChIInChI=1S/C16H20N4O3/c1-3-23-16(22)12-9-17-18-14(12)11-6-8-20(10-11)15(21)13-5-4-7-19(13)2/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H,17,18)
InChIKeyIXMUHZQIAMWWIA-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.55
Rot. Bonds4

About ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate

ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate (PubChem CID 126831834) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate
PubChem CID126831834
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nameethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1C1CCN(C(=O)c2cccn2C)C1
InChIInChI=1S/C16H20N4O3/c1-3-23-16(22)12-9-17-18-14(12)11-6-8-20(10-11)15(21)13-5-4-7-19(13)2/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H,17,18)
InChIKeyIXMUHZQIAMWWIA-UHFFFAOYSA-N
XLogP1.55
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 125002143
ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 81344401
(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118701
ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate
CID 97240405
ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate
CID 119055009
ethyl 5-[1-[(1-tert-butyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate
CID 126841644
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127247295
1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 95216001
(1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 155881332
(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 110082899
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 80553966
ethyl 4-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45170473

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate (CID 126831834) is ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1C1CCN(C(=O)c2cccn2C)C1.
What is the InChIKey of ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate?
The InChIKey is IXMUHZQIAMWWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-23-16(22)12-9-17-18-14(12)11-6-8-20(10-11)15(21)13-5-4-7-19(13)2/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H,17,18).
What are the key properties of ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate?
ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 126831834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).