3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide

C12H13N5O2 — CID 90419819

IUPAC3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1c(C(=O)NC)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C12H13N5O2/c1-4-8-9(10(18)14-2)16(3)11-7(5-13)6-15-17(11)12(8)19/h6H,4H2,1-3H3,(H,14,18)
InChIKeyBDBLQDAFWGVLDV-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.17
Rot. Bonds2

About 3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide

3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 90419819) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID90419819
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1c(C(=O)NC)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C12H13N5O2/c1-4-8-9(10(18)14-2)16(3)11-7(5-13)6-15-17(11)12(8)19/h6H,4H2,1-3H3,(H,14,18)
InChIKeyBDBLQDAFWGVLDV-UHFFFAOYSA-N
XLogP-0.17
TPSA92.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 90419819) is 3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide is CCc1c(C(=O)NC)n(C)c2c(C#N)cnn2c1=O.
What is the InChIKey of 3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is BDBLQDAFWGVLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-4-8-9(10(18)14-2)16(3)11-7(5-13)6-15-17(11)12(8)19/h6H,4H2,1-3H3,(H,14,18).
What are the key properties of 3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 259.27 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-ethyl-N,4-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 90419819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).