4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H19N5O — CID 78426132

IUPAC4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(C)n(CCN(C)C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C14H19N5O/c1-5-12-10(2)18(7-6-17(3)4)13-11(8-15)9-16-19(13)14(12)20/h9H,5-7H2,1-4H3
InChIKeyRLGIHCMKXZCXMN-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.80
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile

4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 78426132) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID78426132
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(C)n(CCN(C)C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C14H19N5O/c1-5-12-10(2)18(7-6-17(3)4)13-11(8-15)9-16-19(13)14(12)20/h9H,5-7H2,1-4H3
InChIKeyRLGIHCMKXZCXMN-UHFFFAOYSA-N
XLogP0.80
TPSA66.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-Ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78425992
4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135488828
4-Methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one
CID 67949176
6-Ethyl-5-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrrolo[1,2-c]pyrimidine-1-carbonitrile
CID 78426133
3-Cyano-6-ethyl-4-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 78426699
4-Methyl-9-oxo-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 78428030
4-(2-Bromoethyl)-6-ethyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90417723
3-Cyano-6-ethyl-4-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 90419500
Ethyl 3-cyano-6-ethyl-4-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 90419607
3-cyano-6-ethyl-N,4-dimethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 90419819
5,8-Dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-10-carbonitrile
CID 90454572
6-Ethyl-4-(2-methoxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454585

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 78426132) is 4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCc1c(C)n(CCN(C)C)c2c(C#N)cnn2c1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is RLGIHCMKXZCXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-5-12-10(2)18(7-6-17(3)4)13-11(8-15)9-16-19(13)14(12)20/h9H,5-7H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 78426132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).