ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate

C12H18N4O3 — CID 110461403

IUPACethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CCCN2)n[nH]c1C
InChIInChI=1S/C12H18N4O3/c1-3-19-12(18)9-7(2)15-16-10(9)14-11(17)8-5-4-6-13-8/h8,13H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyJKXMEOHKOHWKQK-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.59
Rot. Bonds4

About ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate

ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate (PubChem CID 110461403) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate
PubChem CID110461403
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CCCN2)n[nH]c1C
InChIInChI=1S/C12H18N4O3/c1-3-19-12(18)9-7(2)15-16-10(9)14-11(17)8-5-4-6-13-8/h8,13H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyJKXMEOHKOHWKQK-UHFFFAOYSA-N
XLogP0.59
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 104914702
ethyl 2-[[(2R)-pyrrolidine-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 104901069
ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate
CID 110479738
ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate
CID 60717312
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
N-(3,5-dimethyl-1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 43547728
ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434
ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
CID 104913687
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-ethylpiperidine-2-carboxamide
CID 114429513
ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate
CID 110467081
1-O-ethyl 2-O-[(2S)-pyrrolidine-2-carbonyl] oxalate
CID 139434827
ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 103794893

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate (CID 110461403) is ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(NC(=O)C2CCCN2)n[nH]c1C.
What is the InChIKey of ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate?
The InChIKey is JKXMEOHKOHWKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-19-12(18)9-7(2)15-16-10(9)14-11(17)8-5-4-6-13-8/h8,13H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate?
ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 110461403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).