3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H19ClN4 — CID 5213569

IUPAC3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C17H19ClN4/c1-10(2)19-15-9-11(3)20-17-16(12(4)21-22(15)17)13-5-7-14(18)8-6-13/h5-10,19H,1-4H3
InChIKeyXEFRILODHOUMKB-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.49
Rot. Bonds3

About 3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5213569) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID5213569
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C17H19ClN4/c1-10(2)19-15-9-11(3)20-17-16(12(4)21-22(15)17)13-5-7-14(18)8-6-13/h5-10,19H,1-4H3
InChIKeyXEFRILODHOUMKB-UHFFFAOYSA-N
XLogP4.49
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 5213569) is 3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XEFRILODHOUMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-10(2)19-15-9-11(3)20-17-16(12(4)21-22(15)17)13-5-7-14(18)8-6-13/h5-10,19H,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 314.82 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5213569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).