6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

C10H12N4 — CID 144700347

IUPAC6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCC1=C(C)Nc2c(C#N)cnn2C1
InChIInChI=1S/C10H12N4/c1-3-8-6-14-10(13-7(8)2)9(4-11)5-12-14/h5,13H,3,6H2,1-2H3
InChIKeyVXCWXHYIRCCRBS-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.86
Rot. Bonds1

About 6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 144700347) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID144700347
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCC1=C(C)Nc2c(C#N)cnn2C1
InChIInChI=1S/C10H12N4/c1-3-8-6-14-10(13-7(8)2)9(4-11)5-12-14/h5,13H,3,6H2,1-2H3
InChIKeyVXCWXHYIRCCRBS-UHFFFAOYSA-N
XLogP1.86
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137199621
5-Methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4767335
7-(Difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4773137
2-Amino-3-{[(e)-(5-amino-4-cyano-1h-pyrazol-1-yl)methylidene]amino}maleonitrile
CID 172432331
(5S,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 135814246
(5R,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 135827662
(5S,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 135827663
(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 135827664
(5S,7S)-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 136786241
(5R,7S)-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 136786242
(5S,7R)-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 136786243
(5R,7R)-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 136786244

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 144700347) is 6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCC1=C(C)Nc2c(C#N)cnn2C1.
What is the InChIKey of 6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is VXCWXHYIRCCRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-3-8-6-14-10(13-7(8)2)9(4-11)5-12-14/h5,13H,3,6H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 144700347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).