N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H19F3N6O2 — CID 1165056

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(C)n1
InChIInChI=1S/C20H19F3N6O2/c1-4-28-11-13(12(2)25-28)10-27(3)19(30)15-9-18-24-14(16-6-5-7-31-16)8-17(20(21,22)23)29(18)26-15/h5-9,11H,4,10H2,1-3H3
InChIKeyLIYIXRXVERPZPH-UHFFFAOYSA-N
MW432.41 g/mol
LogP3.81
Rot. Bonds5

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1165056) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1165056
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(C)n1
InChIInChI=1S/C20H19F3N6O2/c1-4-28-11-13(12(2)25-28)10-27(3)19(30)15-9-18-24-14(16-6-5-7-31-16)8-17(20(21,22)23)29(18)26-15/h5-9,11H,4,10H2,1-3H3
InChIKeyLIYIXRXVERPZPH-UHFFFAOYSA-N
XLogP3.81
TPSA81.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148167
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19288757
5-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19450000
1-(4-aminophenyl)ethanone;5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 162621750
2,5-bis(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823330
5-(3,4-dimethylphenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458345
[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2R,6S)-2,4,6-trimethylpiperidin-1-yl]methanone
CID 1164970
5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 51388544
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19450114
5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165005
5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440969
[(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1164963

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1165056) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(CN(C)C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LIYIXRXVERPZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-4-28-11-13(12(2)25-28)10-27(3)19(30)15-9-18-24-14(16-6-5-7-31-16)8-17(20(21,22)23)29(18)26-15/h5-9,11H,4,10H2,1-3H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 432.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1165056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).