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

C18H25N3 — CID 136838321

IUPAC7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC(CC)c1cc2n(n1)C(c1cccc(C)c1)CCN2
InChIInChI=1S/C18H25N3/c1-4-14(5-2)16-12-18-19-10-9-17(21(18)20-16)15-8-6-7-13(3)11-15/h6-8,11-12,14,17,19H,4-5,9-10H2,1-3H3
InChIKeyPWITYRDIHQOECX-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.50
Rot. Bonds4

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

7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838321) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838321
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC(CC)c1cc2n(n1)C(c1cccc(C)c1)CCN2
InChIInChI=1S/C18H25N3/c1-4-14(5-2)16-12-18-19-10-9-17(21(18)20-16)15-8-6-7-13(3)11-15/h6-8,11-12,14,17,19H,4-5,9-10H2,1-3H3
InChIKeyPWITYRDIHQOECX-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838321) is 7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCC(CC)c1cc2n(n1)C(c1cccc(C)c1)CCN2.
What is the InChIKey of 7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is PWITYRDIHQOECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-14(5-2)16-12-18-19-10-9-17(21(18)20-16)15-8-6-7-13(3)11-15/h6-8,11-12,14,17,19H,4-5,9-10H2,1-3H3.
What are the key properties of 7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 283.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).