3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide

C19H19N5O — CID 176780936

IUPAC3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide
SMILESCC1(C)Cc2c(-c3cccc(-c4nccnc4C(N)=O)c3)cnn2C1
InChIInChI=1S/C19H19N5O/c1-19(2)9-15-14(10-23-24(15)11-19)12-4-3-5-13(8-12)16-17(18(20)25)22-7-6-21-16/h3-8,10H,9,11H2,1-2H3,(H2,20,25)
InChIKeyXWSXROZLZCDIML-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.69
Rot. Bonds3

About 3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide

3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 176780936) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide
PubChem CID176780936
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide
SMILESCC1(C)Cc2c(-c3cccc(-c4nccnc4C(N)=O)c3)cnn2C1
InChIInChI=1S/C19H19N5O/c1-19(2)9-15-14(10-23-24(15)11-19)12-4-3-5-13(8-12)16-17(18(20)25)22-7-6-21-16/h3-8,10H,9,11H2,1-2H3,(H2,20,25)
InChIKeyXWSXROZLZCDIML-UHFFFAOYSA-N
XLogP2.69
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide (CID 176780936) is 3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide is CC1(C)Cc2c(-c3cccc(-c4nccnc4C(N)=O)c3)cnn2C1.
What is the InChIKey of 3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is XWSXROZLZCDIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-19(2)9-15-14(10-23-24(15)11-19)12-4-3-5-13(8-12)16-17(18(20)25)22-7-6-21-16/h3-8,10H,9,11H2,1-2H3,(H2,20,25).
What are the key properties of 3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide?
3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 176780936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).