2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C14H14N4 — CID 1079884

IUPAC2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C14H14N4/c1-9-8-12(15)18-14(16-9)13(10(2)17-18)11-6-4-3-5-7-11/h3-8H,15H2,1-2H3
InChIKeyNTSHQXQHVLGYOP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.60
Rot. Bonds1

About 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1079884) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1079884
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C14H14N4/c1-9-8-12(15)18-14(16-9)13(10(2)17-18)11-6-4-3-5-7-11/h3-8H,15H2,1-2H3
InChIKeyNTSHQXQHVLGYOP-UHFFFAOYSA-N
XLogP2.60
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1079884) is 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NTSHQXQHVLGYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-8-12(15)18-14(16-9)13(10(2)17-18)11-6-4-3-5-7-11/h3-8H,15H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 238.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1079884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).