7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H24Cl2F3N5O — CID 91238940

IUPAC7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)C1C(C)=Nc2cc(C(F)(F)F)nn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H24Cl2F3N5O/c1-3-31-8-4-5-14(31)11-28-21(33)19-12(2)29-18-10-17(22(25,26)27)30-32(18)20(19)13-6-7-15(23)16(24)9-13/h6-7,9-10,14,19-20H,3-5,8,11H2,1-2H3,(H,28,33)/t14-,19?,20?/m0/s1
InChIKeyFCJITQUOLJZGNR-JAGHRAMZSA-N
MW502.37 g/mol
LogP5.12
Rot. Bonds5

About 7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 91238940) has the molecular formula C22H24Cl2F3N5O and a molecular weight of 502.37 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID91238940
Molecular FormulaC22H24Cl2F3N5O
Molecular Weight502.37 g/mol
Exact Mass501.13
IUPAC Name7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)C1C(C)=Nc2cc(C(F)(F)F)nn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H24Cl2F3N5O/c1-3-31-8-4-5-14(31)11-28-21(33)19-12(2)29-18-10-17(22(25,26)27)30-32(18)20(19)13-6-7-15(23)16(24)9-13/h6-7,9-10,14,19-20H,3-5,8,11H2,1-2H3,(H,28,33)/t14-,19?,20?/m0/s1
InChIKeyFCJITQUOLJZGNR-JAGHRAMZSA-N
XLogP5.12
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.37
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

7-(3,4-dichlorophenyl)-5-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91591488
[2-chloro-7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 90775988
[7-(3,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 123744750
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 124568286
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone
CID 91414876
cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 124740614
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 71899768
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 51971203
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843918
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 91238940) is 7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CCN1CCC[C@H]1CNC(=O)C1C(C)=Nc2cc(C(F)(F)F)nn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FCJITQUOLJZGNR-JAGHRAMZSA-N. The full InChI is InChI=1S/C22H24Cl2F3N5O/c1-3-31-8-4-5-14(31)11-28-21(33)19-12(2)29-18-10-17(22(25,26)27)30-32(18)20(19)13-6-7-15(23)16(24)9-13/h6-7,9-10,14,19-20H,3-5,8,11H2,1-2H3,(H,28,33)/t14-,19?,20?/m0/s1.
What are the key properties of 7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 502.37 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 91238940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).