2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C10H17N3 — CID 136838061

IUPAC2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1C)NC(C)CC2C
InChIInChI=1S/C10H17N3/c1-6-5-7(2)13-10(11-6)8(3)9(4)12-13/h6-7,11H,5H2,1-4H3
InChIKeyJXIRZVFPBWBLTE-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.27
Rot. Bonds

About 2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838061) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838061
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1C)NC(C)CC2C
InChIInChI=1S/C10H17N3/c1-6-5-7(2)13-10(11-6)8(3)9(4)12-13/h6-7,11H,5H2,1-4H3
InChIKeyJXIRZVFPBWBLTE-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 135600434
2-methyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 136108556
2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136300223
3-chloro-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136312189
3-bromo-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136328646
3-bromo-2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136329534
1,3-dimethyl-1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridin-5-amine dihydrochloride
CID 137248458
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine dihydrochloride
CID 146155195
2,5-Dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646596
1,3-Dimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-5-amine
CID 135833149
2-cyclopentyl-N,4-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
CID 139354629
1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008674

Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838061) is 2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1C)NC(C)CC2C.
What is the InChIKey of 2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is JXIRZVFPBWBLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-6-5-7(2)13-10(11-6)8(3)9(4)12-13/h6-7,11H,5H2,1-4H3.
What are the key properties of 2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 179.27 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).