2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H22N4 — CID 136838613

IUPAC2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)CCc1cc2n(n1)C(c1ccncc1)CCN2
InChIInChI=1S/C16H22N4/c1-12(2)3-4-14-11-16-18-10-7-15(20(16)19-14)13-5-8-17-9-6-13/h5-6,8-9,11-12,15,18H,3-4,7,10H2,1-2H3
InChIKeySBONHYUMLQAJFF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.27
Rot. Bonds4

About 2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838613) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838613
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)CCc1cc2n(n1)C(c1ccncc1)CCN2
InChIInChI=1S/C16H22N4/c1-12(2)3-4-14-11-16-18-10-7-15(20(16)19-14)13-5-8-17-9-6-13/h5-6,8-9,11-12,15,18H,3-4,7,10H2,1-2H3
InChIKeySBONHYUMLQAJFF-UHFFFAOYSA-N
XLogP3.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838613) is 2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)CCc1cc2n(n1)C(c1ccncc1)CCN2.
What is the InChIKey of 2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is SBONHYUMLQAJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(2)3-4-14-11-16-18-10-7-15(20(16)19-14)13-5-8-17-9-6-13/h5-6,8-9,11-12,15,18H,3-4,7,10H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 270.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).