2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine

C18H16N4 — CID 170092907

IUPAC2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1C=C2N=C(c3ccccc3)C=C(c3cccnc3)N2N1
InChIInChI=1S/C18H16N4/c1-13-10-18-20-16(14-6-3-2-4-7-14)11-17(22(18)21-13)15-8-5-9-19-12-15/h2-13,21H,1H3
InChIKeyIEOLBFJVBMXACG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.98
Rot. Bonds2

About 2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine

2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 170092907) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID170092907
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1C=C2N=C(c3ccccc3)C=C(c3cccnc3)N2N1
InChIInChI=1S/C18H16N4/c1-13-10-18-20-16(14-6-3-2-4-7-14)11-17(22(18)21-13)15-8-5-9-19-12-15/h2-13,21H,1H3
InChIKeyIEOLBFJVBMXACG-UHFFFAOYSA-N
XLogP2.98
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 141411458
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bis(2-methylpropane);3-pyridin-3-ylpyridine
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cyclopenta[c]azepine
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3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine
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3-(2-methyl-1H-diazet-3-yl)pyridine
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3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-3H-pyridine-3-carbonitrile
CID 53256579
9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene
CID 178156419
3-azulen-6-ylpyridine
CID 86232079
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CID 90921130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine (CID 170092907) is 2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine is CC1C=C2N=C(c3ccccc3)C=C(c3cccnc3)N2N1.
What is the InChIKey of 2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is IEOLBFJVBMXACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-13-10-18-20-16(14-6-3-2-4-7-14)11-17(22(18)21-13)15-8-5-9-19-12-15/h2-13,21H,1H3.
What are the key properties of 2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine?
2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 288.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170092907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).