N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

C19H23ClN4 — CID 4144297

IUPACN-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCN(C)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12
InChIInChI=1S/C19H23ClN4/c1-5-6-11-23(4)17-12-13(2)21-19-18(14(3)22-24(17)19)15-7-9-16(20)10-8-15/h7-10,12H,5-6,11H2,1-4H3
InChIKeyHWVBFUJMGVXLMT-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.90
Rot. Bonds5

About N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4144297) has the molecular formula C19H23ClN4 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4144297
Molecular FormulaC19H23ClN4
Molecular Weight342.87 g/mol
Exact Mass342.16
IUPAC NameN-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCN(C)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12
InChIInChI=1S/C19H23ClN4/c1-5-6-11-23(4)17-12-13(2)21-19-18(14(3)22-24(17)19)15-7-9-16(20)10-8-15/h7-10,12H,5-6,11H2,1-4H3
InChIKeyHWVBFUJMGVXLMT-UHFFFAOYSA-N
XLogP4.90
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4144297) is N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCCCN(C)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12.
What is the InChIKey of N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HWVBFUJMGVXLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4/c1-5-6-11-23(4)17-12-13(2)21-19-18(14(3)22-24(17)19)15-7-9-16(20)10-8-15/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 342.87 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4144297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).