butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate

C12H20N4O2 — CID 67127585

IUPACbutyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(n2cc(N)cn2)C1
InChIInChI=1S/C12H20N4O2/c1-2-3-6-18-12(17)15-5-4-11(9-15)16-8-10(13)7-14-16/h7-8,11H,2-6,9,13H2,1H3
InChIKeyGSCPQDKVHPVTGL-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.65
Rot. Bonds4

About butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate

butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate (PubChem CID 67127585) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate
PubChem CID67127585
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Namebutyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(n2cc(N)cn2)C1
InChIInChI=1S/C12H20N4O2/c1-2-3-6-18-12(17)15-5-4-11(9-15)16-8-10(13)7-14-16/h7-8,11H,2-6,9,13H2,1H3
InChIKeyGSCPQDKVHPVTGL-UHFFFAOYSA-N
XLogP1.65
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(4-amino-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 27281520
rac-tert-butyl N-[(3R,4S)-4-(4-amino-1H-pyrazol-1-yl)oxolan-3-yl]carbamate
CID 132388300
tert-Butyl 3-(4-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
CID 46738147
tert-butyl (2-(4-amino-1H-pyrazol-1-yl)ethyl)carbamate
CID 70984316
tert-butyl (3-(4-amino-1H-pyrazol-1-yl)propyl)carbamate
CID 84728083
1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 53504548
1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 53506142
1-(2-Methoxyethyl)-3-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]urea
CID 72010190
2,2,2-trifluoroethyl N-(1-ethyl-1H-pyrazol-4-yl)carbamate
CID 43543991
3-amino-1-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 54594203
tert-butyl N-[(3S)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]carbamate
CID 164640236
tert-butyl 4-(4-amino-1H-pyrazol-1-yl)-3-fluoropiperidine-1-carboxylate
CID 118155984

Frequently Asked Questions

What is the IUPAC name of butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate (CID 67127585) is butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate is CCCCOC(=O)N1CCC(n2cc(N)cn2)C1.
What is the InChIKey of butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is GSCPQDKVHPVTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-3-6-18-12(17)15-5-4-11(9-15)16-8-10(13)7-14-16/h7-8,11H,2-6,9,13H2,1H3.
What are the key properties of butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate?
butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 252.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 67127585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).