1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile

C14H13N5 — CID 114653453

IUPAC1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile
SMILESCC(C)c1cc2c(-n3cccc3C#N)nccn2n1
InChIInChI=1S/C14H13N5/c1-10(2)12-8-13-14(16-5-7-19(13)17-12)18-6-3-4-11(18)9-15/h3-8,10H,1-2H3
InChIKeySDFZJMNOPWKPSV-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.52
Rot. Bonds2

About 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile

1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile (PubChem CID 114653453) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile
PubChem CID114653453
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile
SMILESCC(C)c1cc2c(-n3cccc3C#N)nccn2n1
InChIInChI=1S/C14H13N5/c1-10(2)12-8-13-14(16-5-7-19(13)17-12)18-6-3-4-11(18)9-15/h3-8,10H,1-2H3
InChIKeySDFZJMNOPWKPSV-UHFFFAOYSA-N
XLogP2.52
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
CID 104733750
4-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 104734381
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide
CID 104733768
6-propan-2-ylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 152839118
1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile
CID 114649836
1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653245
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
CID 104733751
[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]methanamine
CID 104734304
1-[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanol
CID 106837325
2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
CID 114650657
N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide
CID 136675875
1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653386

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile (CID 114653453) is 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile is CC(C)c1cc2c(-n3cccc3C#N)nccn2n1.
What is the InChIKey of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile?
The InChIKey is SDFZJMNOPWKPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-10(2)12-8-13-14(16-5-7-19(13)17-12)18-6-3-4-11(18)9-15/h3-8,10H,1-2H3.
What are the key properties of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile?
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile is sourced from PubChem (CID 114653453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).