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

C14H21N5 — CID 136847640

IUPAC2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1cc2n(n1)C(c1ccnn1C)CCN2
InChIInChI=1S/C14H21N5/c1-10(2)8-11-9-14-15-6-4-13(19(14)17-11)12-5-7-16-18(12)3/h5,7,9-10,13,15H,4,6,8H2,1-3H3
InChIKeySIVLDGVMPNLYFY-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.22
Rot. Bonds3

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

2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136847640) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136847640
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1cc2n(n1)C(c1ccnn1C)CCN2
InChIInChI=1S/C14H21N5/c1-10(2)8-11-9-14-15-6-4-13(19(14)17-11)12-5-7-16-18(12)3/h5,7,9-10,13,15H,4,6,8H2,1-3H3
InChIKeySIVLDGVMPNLYFY-UHFFFAOYSA-N
XLogP2.22
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136847640) is 2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)Cc1cc2n(n1)C(c1ccnn1C)CCN2.
What is the InChIKey of 2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is SIVLDGVMPNLYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)8-11-9-14-15-6-4-13(19(14)17-11)12-5-7-16-18(12)3/h5,7,9-10,13,15H,4,6,8H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 259.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136847640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).