3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C10H16ClN3 — CID 136926732

IUPAC3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)CC1CNc2c(Cl)cnn2C1
InChIInChI=1S/C10H16ClN3/c1-7(2)3-8-4-12-10-9(11)5-13-14(10)6-8/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyFFOUSPUGKMLEEM-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.62
Rot. Bonds2

About 3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136926732) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136926732
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)CC1CNc2c(Cl)cnn2C1
InChIInChI=1S/C10H16ClN3/c1-7(2)3-8-4-12-10-9(11)5-13-14(10)6-8/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyFFOUSPUGKMLEEM-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136926732) is 3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)CC1CNc2c(Cl)cnn2C1.
What is the InChIKey of 3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FFOUSPUGKMLEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-7(2)3-8-4-12-10-9(11)5-13-14(10)6-8/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of 3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 213.71 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136926732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).