methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate

C15H19N5O3 — CID 126820412

IUPACmethyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1NC(=O)NCCc1ccncc1C
InChIInChI=1S/C15H19N5O3/c1-10-8-16-6-4-11(10)5-7-17-15(22)19-13-12(14(21)23-3)9-18-20(13)2/h4,6,8-9H,5,7H2,1-3H3,(H2,17,19,22)
InChIKeyZFODZPMEFYGLPT-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.27
Rot. Bonds5

About methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate

methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate (PubChem CID 126820412) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate
PubChem CID126820412
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Namemethyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1NC(=O)NCCc1ccncc1C
InChIInChI=1S/C15H19N5O3/c1-10-8-16-6-4-11(10)5-7-17-15(22)19-13-12(14(21)23-3)9-18-20(13)2/h4,6,8-9H,5,7H2,1-3H3,(H2,17,19,22)
InChIKeyZFODZPMEFYGLPT-UHFFFAOYSA-N
XLogP1.27
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate?
The IUPAC name of methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate (CID 126820412) is methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate is COC(=O)c1cnn(C)c1NC(=O)NCCc1ccncc1C.
What is the InChIKey of methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate?
The InChIKey is ZFODZPMEFYGLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-8-16-6-4-11(10)5-7-17-15(22)19-13-12(14(21)23-3)9-18-20(13)2/h4,6,8-9H,5,7H2,1-3H3,(H2,17,19,22).
What are the key properties of methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate?
methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate is sourced from PubChem (CID 126820412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).