7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C14H18N4 — CID 136838267

IUPAC7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)C1CCNc2cc(-c3ccncc3)nn21
InChIInChI=1S/C14H18N4/c1-10(2)13-5-8-16-14-9-12(17-18(13)14)11-3-6-15-7-4-11/h3-4,6-7,9-10,13,16H,5,8H2,1-2H3
InChIKeyQIZKOKLDDIGAMB-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.96
Rot. Bonds2

About 7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838267) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838267
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)C1CCNc2cc(-c3ccncc3)nn21
InChIInChI=1S/C14H18N4/c1-10(2)13-5-8-16-14-9-12(17-18(13)14)11-3-6-15-7-4-11/h3-4,6-7,9-10,13,16H,5,8H2,1-2H3
InChIKeyQIZKOKLDDIGAMB-UHFFFAOYSA-N
XLogP2.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838267) is 7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)C1CCNc2cc(-c3ccncc3)nn21.
What is the InChIKey of 7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is QIZKOKLDDIGAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(2)13-5-8-16-14-9-12(17-18(13)14)11-3-6-15-7-4-11/h3-4,6-7,9-10,13,16H,5,8H2,1-2H3.
What are the key properties of 7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 242.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).