methyl 5-(methylamino)-1H-pyrazole-4-carboxylate

C6H9N3O2 — CID 84650123

IUPACmethyl 5-(methylamino)-1H-pyrazole-4-carboxylate
SMILESCNc1[nH]ncc1C(=O)OC
InChIInChI=1S/C6H9N3O2/c1-7-5-4(3-8-9-5)6(10)11-2/h3H,1-2H3,(H2,7,8,9)
InChIKeyVBPCXXQMYWTGDL-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.24
Rot. Bonds2

About methyl 5-(methylamino)-1H-pyrazole-4-carboxylate

methyl 5-(methylamino)-1H-pyrazole-4-carboxylate (PubChem CID 84650123) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl 5-(methylamino)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methylamino)-1H-pyrazole-4-carboxylate
PubChem CID84650123
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl 5-(methylamino)-1H-pyrazole-4-carboxylate
SMILESCNc1[nH]ncc1C(=O)OC
InChIInChI=1S/C6H9N3O2/c1-7-5-4(3-8-9-5)6(10)11-2/h3H,1-2H3,(H2,7,8,9)
InChIKeyVBPCXXQMYWTGDL-UHFFFAOYSA-N
XLogP0.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(methylamino)-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 5-(methylamino)-1H-pyrazole-4-carboxylate (CID 84650123) is methyl 5-(methylamino)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-(methylamino)-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-(methylamino)-1H-pyrazole-4-carboxylate is CNc1[nH]ncc1C(=O)OC.
What is the InChIKey of methyl 5-(methylamino)-1H-pyrazole-4-carboxylate?
The InChIKey is VBPCXXQMYWTGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-7-5-4(3-8-9-5)6(10)11-2/h3H,1-2H3,(H2,7,8,9).
What are the key properties of methyl 5-(methylamino)-1H-pyrazole-4-carboxylate?
methyl 5-(methylamino)-1H-pyrazole-4-carboxylate has a molecular weight of 155.16 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methylamino)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 84650123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).