N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H15F3N6O2 — CID 19468343

IUPACN-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(-c2ccnc3cc(C(=O)Nc4ccc(F)cc4OC(F)F)nn23)cnn1C
InChIInChI=1S/C19H15F3N6O2/c1-10-12(9-24-27(10)2)15-5-6-23-17-8-14(26-28(15)17)18(29)25-13-4-3-11(20)7-16(13)30-19(21)22/h3-9,19H,1-2H3,(H,25,29)
InChIKeyJUDGFMAVWQCLSY-UHFFFAOYSA-N
MW416.36 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19468343) has the molecular formula C19H15F3N6O2 and a molecular weight of 416.36 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19468343
Molecular FormulaC19H15F3N6O2
Molecular Weight416.36 g/mol
Exact Mass416.12
IUPAC NameN-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(-c2ccnc3cc(C(=O)Nc4ccc(F)cc4OC(F)F)nn23)cnn1C
InChIInChI=1S/C19H15F3N6O2/c1-10-12(9-24-27(10)2)15-5-6-23-17-8-14(26-28(15)17)18(29)25-13-4-3-11(20)7-16(13)30-19(21)22/h3-9,19H,1-2H3,(H,25,29)
InChIKeyJUDGFMAVWQCLSY-UHFFFAOYSA-N
XLogP3.43
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266958
7-(1,5-dimethylpyrazol-4-yl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468304
N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466570
7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468297
N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416613
7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466483
N-(2,5-difluorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5243772
N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4863093
ethyl 5-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19414384
propyl 5-carbamoyl-2-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19466518
2-[(2-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19507288
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19275512

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19468343) is N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1c(-c2ccnc3cc(C(=O)Nc4ccc(F)cc4OC(F)F)nn23)cnn1C.
What is the InChIKey of N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JUDGFMAVWQCLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2/c1-10-12(9-24-27(10)2)15-5-6-23-17-8-14(26-28(15)17)18(29)25-13-4-3-11(20)7-16(13)30-19(21)22/h3-9,19H,1-2H3,(H,25,29).
What are the key properties of N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19468343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).