ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate

C12H20N4O3 — CID 55033924

IUPACethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C12H20N4O3/c1-4-19-8(17)5-6-14-12(18)11-9(13)10(7(2)3)15-16-11/h7H,4-6,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyCRAJDSHAHBYAMT-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.80
Rot. Bonds6

About ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate

ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate (PubChem CID 55033924) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate
PubChem CID55033924
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nameethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C12H20N4O3/c1-4-19-8(17)5-6-14-12(18)11-9(13)10(7(2)3)15-16-11/h7H,4-6,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyCRAJDSHAHBYAMT-UHFFFAOYSA-N
XLogP0.80
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55033876
ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate
CID 64581941
4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076723
4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 62077584
4-amino-N-(3-cyclopentylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106006372
N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 110833964
4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
CID 113449775
4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076068
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076553
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034138
4-amino-N-(2-ethoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077048
4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075243

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate (CID 55033924) is ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate?
The InChIKey is CRAJDSHAHBYAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-19-8(17)5-6-14-12(18)11-9(13)10(7(2)3)15-16-11/h7H,4-6,13H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate?
ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate has a molecular weight of 268.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 55033924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).