2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine

C18H21N5 — CID 170092679

IUPAC2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2n1
InChIInChI=1S/C18H21N5/c1-14-12-17-19-16(15-6-4-3-5-7-15)13-18(23(17)20-14)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11H2,1-2H3
InChIKeyNINLEEIGZQAGLT-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine

2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 170092679) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID170092679
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2n1
InChIInChI=1S/C18H21N5/c1-14-12-17-19-16(15-6-4-3-5-7-15)13-18(23(17)20-14)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11H2,1-2H3
InChIKeyNINLEEIGZQAGLT-UHFFFAOYSA-N
XLogP2.46
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
CID 95897098
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
ethane;methane;2-methyl-5-(4-methylphenyl)-7-(4-methylpiperazin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 163269415
5-methyl-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 82270537
2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 82270574
7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 4144309
4-(2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 8741337
[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
CID 44602404
5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 154842512
7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092780
1-[2-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
CID 70766799
2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 139027856

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine (CID 170092679) is 2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2n1.
What is the InChIKey of 2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NINLEEIGZQAGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-14-12-17-19-16(15-6-4-3-5-7-15)13-18(23(17)20-14)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 307.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170092679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).