2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C21H21N5 — CID 56915913

IUPAC2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(-c3ccccc3)cc(NC(C)Cc3cccnc3)n2n1
InChIInChI=1S/C21H21N5/c1-15(11-17-7-6-10-22-14-17)23-21-13-19(18-8-4-3-5-9-18)24-20-12-16(2)25-26(20)21/h3-10,12-15,23H,11H2,1-2H3
InChIKeyVJNXIPPIGOOZRH-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.14
Rot. Bonds5

About 2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56915913) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56915913
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(-c3ccccc3)cc(NC(C)Cc3cccnc3)n2n1
InChIInChI=1S/C21H21N5/c1-15(11-17-7-6-10-22-14-17)23-21-13-19(18-8-4-3-5-9-18)24-20-12-16(2)25-26(20)21/h3-10,12-15,23H,11H2,1-2H3
InChIKeyVJNXIPPIGOOZRH-UHFFFAOYSA-N
XLogP4.14
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95861751
5-phenyl-N-(4-phenylbutan-2-yl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53003478
5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 93064915
(5-phenyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270451
2-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 83709189
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70786665
1-[2-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
CID 70766799
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70707398
7-methyl-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877265
(4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95871433
ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
CID 143251437

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56915913) is 2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(-c3ccccc3)cc(NC(C)Cc3cccnc3)n2n1.
What is the InChIKey of 2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VJNXIPPIGOOZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-15(11-17-7-6-10-22-14-17)23-21-13-19(18-8-4-3-5-9-18)24-20-12-16(2)25-26(20)21/h3-10,12-15,23H,11H2,1-2H3.
What are the key properties of 2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56915913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).