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

C18H17F3N8O — CID 19449547

IUPACN-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Cn2cc(NC(=O)c3cc4nc(C)cc(C(F)(F)F)n4n3)cn2)cn1
InChIInChI=1S/C18H17F3N8O/c1-3-27-8-12(6-22-27)9-28-10-13(7-23-28)25-17(30)14-5-16-24-11(2)4-15(18(19,20)21)29(16)26-14/h4-8,10H,3,9H2,1-2H3,(H,25,30)
InChIKeyOPLUTSPKOHWOCU-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.77
Rot. Bonds5

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

N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449547) has the molecular formula C18H17F3N8O and a molecular weight of 418.38 g/mol. Its IUPAC name is N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449547
Molecular FormulaC18H17F3N8O
Molecular Weight418.38 g/mol
Exact Mass418.15
IUPAC NameN-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Cn2cc(NC(=O)c3cc4nc(C)cc(C(F)(F)F)n4n3)cn2)cn1
InChIInChI=1S/C18H17F3N8O/c1-3-27-8-12(6-22-27)9-28-10-13(7-23-28)25-17(30)14-5-16-24-11(2)4-15(18(19,20)21)29(16)26-14/h4-8,10H,3,9H2,1-2H3,(H,25,30)
InChIKeyOPLUTSPKOHWOCU-UHFFFAOYSA-N
XLogP2.77
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466439
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449275
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449564
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449446
7-[chloro(difluoro)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19459806
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455890
5-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19290645
5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19346955
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19404103
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000173
5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449552
5-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19410278

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449547) is N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(Cn2cc(NC(=O)c3cc4nc(C)cc(C(F)(F)F)n4n3)cn2)cn1.
What is the InChIKey of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OPLUTSPKOHWOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N8O/c1-3-27-8-12(6-22-27)9-28-10-13(7-23-28)25-17(30)14-5-16-24-11(2)4-15(18(19,20)21)29(16)26-14/h4-8,10H,3,9H2,1-2H3,(H,25,30).
What are the key properties of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).