ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate

C10H16N4O3 — CID 65359556

IUPACethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c(N)cnn1C
InChIInChI=1S/C10H16N4O3/c1-4-17-10(16)6(2)13-9(15)8-7(11)5-12-14(8)3/h5-6H,4,11H2,1-3H3,(H,13,15)
InChIKeyUAAXDTWMCBJWSA-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.32
Rot. Bonds4

About ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate

ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate (PubChem CID 65359556) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
PubChem CID65359556
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c(N)cnn1C
InChIInChI=1S/C10H16N4O3/c1-4-17-10(16)6(2)13-9(15)8-7(11)5-12-14(8)3/h5-6H,4,11H2,1-3H3,(H,13,15)
InChIKeyUAAXDTWMCBJWSA-UHFFFAOYSA-N
XLogP-0.32
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355770
4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide
CID 65359456
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65359812
4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
CID 70115891
4-amino-N-[4-(dimethylamino)butan-2-yl]-1-methylpyrazole-5-carboxamide
CID 65359893
4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
CID 65355631
4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
CID 65359284
4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65359425
4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
CID 65359621
4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 132586738
4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
CID 132586606

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate (CID 65359556) is ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1c(N)cnn1C.
What is the InChIKey of ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate?
The InChIKey is UAAXDTWMCBJWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-17-10(16)6(2)13-9(15)8-7(11)5-12-14(8)3/h5-6H,4,11H2,1-3H3,(H,13,15).
What are the key properties of ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate?
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate has a molecular weight of 240.26 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 65359556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).