N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H20ClF3N6O — CID 19322654

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cc2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C22H20ClF3N6O/c1-4-31-18(15(23)10-28-31)11-27-21(33)17-9-20-29-16(14-6-5-12(2)13(3)7-14)8-19(22(24,25)26)32(20)30-17/h5-10H,4,11H2,1-3H3,(H,27,33)
InChIKeyGERHKLMGJAPZFM-UHFFFAOYSA-N
MW476.89 g/mol
LogP4.83
Rot. Bonds5

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19322654) has the molecular formula C22H20ClF3N6O and a molecular weight of 476.89 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19322654
Molecular FormulaC22H20ClF3N6O
Molecular Weight476.89 g/mol
Exact Mass476.13
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cc2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C22H20ClF3N6O/c1-4-31-18(15(23)10-28-31)11-27-21(33)17-9-20-29-16(14-6-5-12(2)13(3)7-14)8-19(22(24,25)26)32(20)30-17/h5-10H,4,11H2,1-3H3,(H,27,33)
InChIKeyGERHKLMGJAPZFM-UHFFFAOYSA-N
XLogP4.83
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.89
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19322656
5-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19331190
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19324686
5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19590040
5-(3,4-dichlorophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2871006
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19339671
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19396503
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19330196
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19322964
5-(3,4-dimethylphenyl)-N-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19346278
N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19339996
N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19282688

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19322654) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ncc(Cl)c1CNC(=O)c1cc2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GERHKLMGJAPZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N6O/c1-4-31-18(15(23)10-28-31)11-27-21(33)17-9-20-29-16(14-6-5-12(2)13(3)7-14)8-19(22(24,25)26)32(20)30-17/h5-10H,4,11H2,1-3H3,(H,27,33).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 476.89 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19322654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).