N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C20H24N4 — CID 46299374

IUPACN-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2nn3c(NC4CCCC4)cc(C)nc3c2C)cc1
InChIInChI=1S/C20H24N4/c1-13-8-10-16(11-9-13)19-15(3)20-21-14(2)12-18(24(20)23-19)22-17-6-4-5-7-17/h8-12,17,22H,4-7H2,1-3H3
InChIKeyVCEJMPCLFYVIAA-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.68
Rot. Bonds3

About N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46299374) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46299374
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2nn3c(NC4CCCC4)cc(C)nc3c2C)cc1
InChIInChI=1S/C20H24N4/c1-13-8-10-16(11-9-13)19-15(3)20-21-14(2)12-18(24(20)23-19)22-17-6-4-5-7-17/h8-12,17,22H,4-7H2,1-3H3
InChIKeyVCEJMPCLFYVIAA-UHFFFAOYSA-N
XLogP4.68
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 46299374) is N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(-c2nn3c(NC4CCCC4)cc(C)nc3c2C)cc1.
What is the InChIKey of N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VCEJMPCLFYVIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-13-8-10-16(11-9-13)19-15(3)20-21-14(2)12-18(24(20)23-19)22-17-6-4-5-7-17/h8-12,17,22H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 320.44 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46299374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).