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

C22H28N4 — CID 71452543

IUPACN-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2c(C)nn3c(NCC4CCCCC4)cc(C)nc23)cc1
InChIInChI=1S/C22H28N4/c1-15-9-11-19(12-10-15)21-17(3)25-26-20(13-16(2)24-22(21)26)23-14-18-7-5-4-6-8-18/h9-13,18,23H,4-8,14H2,1-3H3
InChIKeyNHUVQGZBVRTXKR-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.31
Rot. Bonds4

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

N-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71452543) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71452543
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC NameN-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2c(C)nn3c(NCC4CCCCC4)cc(C)nc23)cc1
InChIInChI=1S/C22H28N4/c1-15-9-11-19(12-10-15)21-17(3)25-26-20(13-16(2)24-22(21)26)23-14-18-7-5-4-6-8-18/h9-13,18,23H,4-8,14H2,1-3H3
InChIKeyNHUVQGZBVRTXKR-UHFFFAOYSA-N
XLogP5.31
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71452543) is N-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(-c2c(C)nn3c(NCC4CCCCC4)cc(C)nc23)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NHUVQGZBVRTXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-15-9-11-19(12-10-15)21-17(3)25-26-20(13-16(2)24-22(21)26)23-14-18-7-5-4-6-8-18/h9-13,18,23H,4-8,14H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71452543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).