methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate

C10H16N4O3 — CID 55219475

IUPACmethyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H16N4O3/c1-14(5-3-4-8(15)17-2)10(16)9-7(11)6-12-13-9/h6H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyZAEZJUVANQJKCG-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.02
Rot. Bonds5

About methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate

methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate (PubChem CID 55219475) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate
PubChem CID55219475
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Namemethyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H16N4O3/c1-14(5-3-4-8(15)17-2)10(16)9-7(11)6-12-13-9/h6H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyZAEZJUVANQJKCG-UHFFFAOYSA-N
XLogP0.02
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate (CID 55219475) is methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate is COC(=O)CCCN(C)C(=O)c1[nH]ncc1N.
What is the InChIKey of methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate?
The InChIKey is ZAEZJUVANQJKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-14(5-3-4-8(15)17-2)10(16)9-7(11)6-12-13-9/h6H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate?
methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate has a molecular weight of 240.26 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate is sourced from PubChem (CID 55219475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).