3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide

C21H21F3N6O — CID 55672002

IUPAC3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F
InChIInChI=1S/C21H21F3N6O/c1-12-16(13(2)30-20(27-12)14(10-25)11-26-30)6-8-19(31)28-18-7-5-15(29(3)4)9-17(18)21(22,23)24/h5,7,9,11H,6,8H2,1-4H3,(H,28,31)
InChIKeyQXZXBWKKYFZCRD-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.87
Rot. Bonds5

About 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 55672002) has the molecular formula C21H21F3N6O and a molecular weight of 430.43 g/mol. Its IUPAC name is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
PubChem CID55672002
Molecular FormulaC21H21F3N6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F
InChIInChI=1S/C21H21F3N6O/c1-12-16(13(2)30-20(27-12)14(10-25)11-26-30)6-8-19(31)28-18-7-5-15(29(3)4)9-17(18)21(22,23)24/h5,7,9,11H,6,8H2,1-4H3,(H,28,31)
InChIKeyQXZXBWKKYFZCRD-UHFFFAOYSA-N
XLogP3.87
TPSA86.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86930802
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 55623654
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763746
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
CID 46404551
N-[4-(carbamoylamino)-3-methoxyphenyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 71849153
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55622817
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 86971040
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]propanamide
CID 55899485
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
CID 55896270
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 60621717
2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55623710
N'-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 55624707

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide (CID 55672002) is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide is Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F.
What is the InChIKey of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QXZXBWKKYFZCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O/c1-12-16(13(2)30-20(27-12)14(10-25)11-26-30)6-8-19(31)28-18-7-5-15(29(3)4)9-17(18)21(22,23)24/h5,7,9,11H,6,8H2,1-4H3,(H,28,31).
What are the key properties of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 430.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55672002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).