N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide

C20H24N4O — CID 68751364

IUPACN-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide
SMILESCC(C)(C)Cc1c(NC(=O)CCc2ccccc2)nn2cccnc12
InChIInChI=1S/C20H24N4O/c1-20(2,3)14-16-18(23-24-13-7-12-21-19(16)24)22-17(25)11-10-15-8-5-4-6-9-15/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,23,25)
InChIKeyNPDFXQLZTNFWDU-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.89
Rot. Bonds5

About N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide

N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide (PubChem CID 68751364) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide
PubChem CID68751364
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide
SMILESCC(C)(C)Cc1c(NC(=O)CCc2ccccc2)nn2cccnc12
InChIInChI=1S/C20H24N4O/c1-20(2,3)14-16-18(23-24-13-7-12-21-19(16)24)22-17(25)11-10-15-8-5-4-6-9-15/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,23,25)
InChIKeyNPDFXQLZTNFWDU-UHFFFAOYSA-N
XLogP3.89
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
CID 59836533
3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid
CID 63261894
3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68751940
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 769200
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
N-(5-amino-3-methyl-2-pyridinyl)-3-phenylpropanamide
CID 112555372
3-cyclopropyl-N-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68751455
N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide
CID 118692619
3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
CID 28713222
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide
CID 87054160
3-cyclopentyl-N-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68750022

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide (CID 68751364) is N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide is CC(C)(C)Cc1c(NC(=O)CCc2ccccc2)nn2cccnc12.
What is the InChIKey of N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide?
The InChIKey is NPDFXQLZTNFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-20(2,3)14-16-18(23-24-13-7-12-21-19(16)24)22-17(25)11-10-15-8-5-4-6-9-15/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,23,25).
What are the key properties of N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide?
N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 68751364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).