4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H16N4O — CID 90454587

IUPAC4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(C)n(CC2CC2)c2c(C#N)cnn2c1=O
InChIInChI=1S/C14H16N4O/c1-3-12-9(2)17(8-10-4-5-10)13-11(6-15)7-16-18(13)14(12)19/h7,10H,3-5,8H2,1-2H3
InChIKeyNJMLQGUUYFSNEU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.65
Rot. Bonds3

About 4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile

4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454587) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454587
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(C)n(CC2CC2)c2c(C#N)cnn2c1=O
InChIInChI=1S/C14H16N4O/c1-3-12-9(2)17(8-10-4-5-10)13-11(6-15)7-16-18(13)14(12)19/h7,10H,3-5,8H2,1-2H3
InChIKeyNJMLQGUUYFSNEU-UHFFFAOYSA-N
XLogP1.65
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454587) is 4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCc1c(C)n(CC2CC2)c2c(C#N)cnn2c1=O.
What is the InChIKey of 4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is NJMLQGUUYFSNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-12-9(2)17(8-10-4-5-10)13-11(6-15)7-16-18(13)14(12)19/h7,10H,3-5,8H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).