[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate

C13H21N3O3 — CID 55601702

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)N(C)C(C)C)n[nH]1
InChIInChI=1S/C13H21N3O3/c1-5-6-10-7-11(15-14-10)13(18)19-8-12(17)16(4)9(2)3/h7,9H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyPWUQYYFTYFFHLR-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.39
Rot. Bonds6

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate (PubChem CID 55601702) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
PubChem CID55601702
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)N(C)C(C)C)n[nH]1
InChIInChI=1S/C13H21N3O3/c1-5-6-10-7-11(15-14-10)13(18)19-8-12(17)16(4)9(2)3/h7,9H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyPWUQYYFTYFFHLR-UHFFFAOYSA-N
XLogP1.39
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate
CID 55569507
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55546783
2-(3-methylbutoxy)ethyl 5-propyl-1H-pyrazole-3-carboxylate
CID 60554709
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55546370
ethyl 5-pentadecyl-1H-pyrazole-3-carboxylate
CID 70581029
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55546952
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55531501
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 30657196
ethyl 5-(3-bromopropyl)-1H-pyrazole-3-carboxylate
CID 54326047
N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 24675406
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 47024435
(5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562184

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate (CID 55601702) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate is CCCc1cc(C(=O)OCC(=O)N(C)C(C)C)n[nH]1.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate?
The InChIKey is PWUQYYFTYFFHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-6-10-7-11(15-14-10)13(18)19-8-12(17)16(4)9(2)3/h7,9H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 55601702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).