N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H17BrF2N6O — CID 19458612

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H17BrF2N6O/c1-27(11-17-14(21)10-24-28(17)2)20(30)13-9-25-29-16(18(22)23)8-15(26-19(13)29)12-6-4-3-5-7-12/h3-10,18H,11H2,1-2H3
InChIKeyFIXRIHDWZTZIKJ-UHFFFAOYSA-N
MW475.30 g/mol
LogP4.10
Rot. Bonds5

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19458612) has the molecular formula C20H17BrF2N6O and a molecular weight of 475.30 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19458612
Molecular FormulaC20H17BrF2N6O
Molecular Weight475.30 g/mol
Exact Mass474.06
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H17BrF2N6O/c1-27(11-17-14(21)10-24-28(17)2)20(30)13-9-25-29-16(18(22)23)8-15(26-19(13)29)12-6-4-3-5-7-12/h3-10,18H,11H2,1-2H3
InChIKeyFIXRIHDWZTZIKJ-UHFFFAOYSA-N
XLogP4.10
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19296631
7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2056140
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-7-(difluoromethyl)-5-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441095
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441088
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409
7-(difluoromethyl)-N-(3-methylbutyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3596557
N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
N-(5-carbamoyl-1-methylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4867890
7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5074183
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19452033

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19458612) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(Cc1c(Br)cnn1C)C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FIXRIHDWZTZIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF2N6O/c1-27(11-17-14(21)10-24-28(17)2)20(30)13-9-25-29-16(18(22)23)8-15(26-19(13)29)12-6-4-3-5-7-12/h3-10,18H,11H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.30 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19458612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).