2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide

C25H33FN4O — CID 134152661

IUPAC2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(CCCF)cc2)nn2c(C)cc(C)nc12
InChIInChI=1S/C25H33FN4O/c1-5-14-29(15-6-2)23(31)17-22-24(21-11-9-20(10-12-21)8-7-13-26)28-30-19(4)16-18(3)27-25(22)30/h9-12,16H,5-8,13-15,17H2,1-4H3
InChIKeyXCBVVJWUAVADQL-UHFFFAOYSA-N
MW424.56 g/mol
LogP5.11
Rot. Bonds10

About 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide

2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide (PubChem CID 134152661) has the molecular formula C25H33FN4O and a molecular weight of 424.56 g/mol. Its IUPAC name is 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide
PubChem CID134152661
Molecular FormulaC25H33FN4O
Molecular Weight424.56 g/mol
Exact Mass424.26
IUPAC Name2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(CCCF)cc2)nn2c(C)cc(C)nc12
InChIInChI=1S/C25H33FN4O/c1-5-14-29(15-6-2)23(31)17-22-24(21-11-9-20(10-12-21)8-7-13-26)28-30-19(4)16-18(3)27-25(22)30/h9-12,16H,5-8,13-15,17H2,1-4H3
InChIKeyXCBVVJWUAVADQL-UHFFFAOYSA-N
XLogP5.11
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.56
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5287936
2-[6,8-dimethyl-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 44197008
2-[2-(4-chlorophenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 44197009
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CID 44197010
N-(2-methoxyethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 66964555
2-[(4-Methyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
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(5,7-Diphenylpyrazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperazin-1-yl)methanone
CID 1050346
hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 5207625
2-[(4-Benzoyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine
CID 1100830
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-(4-{pyrazolo[1,5-a]pyrimidin-5-yl}phenyl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895717
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-(4-{5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895720

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide (CID 134152661) is 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(CCCF)cc2)nn2c(C)cc(C)nc12.
What is the InChIKey of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide?
The InChIKey is XCBVVJWUAVADQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O/c1-5-14-29(15-6-2)23(31)17-22-24(21-11-9-20(10-12-21)8-7-13-26)28-30-19(4)16-18(3)27-25(22)30/h9-12,16H,5-8,13-15,17H2,1-4H3.
What are the key properties of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide?
2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide has a molecular weight of 424.56 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 134152661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).