methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate

C13H20N4O3 — CID 62076260

IUPACmethyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCCc1[nH]nc(C(=O)N2CCCC2C(=O)OC)c1N
InChIInChI=1S/C13H20N4O3/c1-3-5-8-10(14)11(16-15-8)12(18)17-7-4-6-9(17)13(19)20-2/h9H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyNNIBTRODYGHSQL-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.72
Rot. Bonds4

About methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 62076260) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID62076260
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Namemethyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCCc1[nH]nc(C(=O)N2CCCC2C(=O)OC)c1N
InChIInChI=1S/C13H20N4O3/c1-3-5-8-10(14)11(16-15-8)12(18)17-7-4-6-9(17)13(19)20-2/h9H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyNNIBTRODYGHSQL-UHFFFAOYSA-N
XLogP0.72
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate
CID 104774373
1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 62075159
1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 62082683
methyl 1-(5-amino-2H-triazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 110484841
(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62077251
1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 62082349
methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 115533013
1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 62075601
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 55035184
4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
CID 66084844
methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128449

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate (CID 62076260) is methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate is CCCc1[nH]nc(C(=O)N2CCCC2C(=O)OC)c1N.
What is the InChIKey of methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is NNIBTRODYGHSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-5-8-10(14)11(16-15-8)12(18)17-7-4-6-9(17)13(19)20-2/h9H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62076260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).