ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate

C11H18N4O3 — CID 110478908

IUPACethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(C)c1NC(=O)C(C)N
InChIInChI=1S/C11H18N4O3/c1-5-18-11(17)8-7(3)14-15(4)9(8)13-10(16)6(2)12/h6H,5,12H2,1-4H3,(H,13,16)
InChIKeyKIEOXZYGKWRFFB-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.19
Rot. Bonds4

About ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate

ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate (PubChem CID 110478908) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate
PubChem CID110478908
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Nameethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(C)c1NC(=O)C(C)N
InChIInChI=1S/C11H18N4O3/c1-5-18-11(17)8-7(3)14-15(4)9(8)13-10(16)6(2)12/h6H,5,12H2,1-4H3,(H,13,16)
InChIKeyKIEOXZYGKWRFFB-UHFFFAOYSA-N
XLogP0.19
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 110478911
5-(ethoxycarbonylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 110479357
ethyl 5-(benzylamino)-1,3-dimethylpyrazole-4-carboxylate
CID 852512
ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 52563002
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750
ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate
CID 10559867
5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
CID 63757522
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
ethyl 3,5-dibromo-1-methylpyrazole-4-carboxylate
CID 24799526
5-(butan-2-ylamino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756143
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
ethyl 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
CID 56926831

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate (CID 110478908) is ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(C)c1NC(=O)C(C)N.
What is the InChIKey of ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate?
The InChIKey is KIEOXZYGKWRFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-5-18-11(17)8-7(3)14-15(4)9(8)13-10(16)6(2)12/h6H,5,12H2,1-4H3,(H,13,16).
What are the key properties of ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate?
ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 110478908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).