methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate

C14H16ClN5O2 — CID 171063542

IUPACmethyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(C2CC2)nc1Nc1cn(C)nc1C
InChIInChI=1S/C14H16ClN5O2/c1-7-9(6-20(2)19-7)16-13-11(14(21)22-3)17-12(15)10(18-13)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,16,18)
InChIKeyRSVWKAINXZBMDB-UHFFFAOYSA-N
MW321.77 g/mol
LogP2.58
Rot. Bonds4

About methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate

methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate (PubChem CID 171063542) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate
PubChem CID171063542
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Namemethyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(C2CC2)nc1Nc1cn(C)nc1C
InChIInChI=1S/C14H16ClN5O2/c1-7-9(6-20(2)19-7)16-13-11(14(21)22-3)17-12(15)10(18-13)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,16,18)
InChIKeyRSVWKAINXZBMDB-UHFFFAOYSA-N
XLogP2.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate (CID 171063542) is methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(C2CC2)nc1Nc1cn(C)nc1C.
What is the InChIKey of methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate?
The InChIKey is RSVWKAINXZBMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-7-9(6-20(2)19-7)16-13-11(14(21)22-3)17-12(15)10(18-13)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,16,18).
What are the key properties of methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate?
methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate has a molecular weight of 321.77 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-cyclopropyl-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 171063542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).