N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18F2N4O — CID 4071577

IUPACN-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C18H18F2N4O/c1-3-11(2)22-18(25)13-10-21-24-15(16(19)20)9-14(23-17(13)24)12-7-5-4-6-8-12/h4-11,16H,3H2,1-2H3,(H,22,25)
InChIKeyQUSGUOHFAFRBBG-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.86
Rot. Bonds5

About N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4071577) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4071577
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C18H18F2N4O/c1-3-11(2)22-18(25)13-10-21-24-15(16(19)20)9-14(23-17(13)24)12-7-5-4-6-8-12/h4-11,16H,3H2,1-2H3,(H,22,25)
InChIKeyQUSGUOHFAFRBBG-UHFFFAOYSA-N
XLogP3.86
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447221
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)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19466731
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409
7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5074183
7-(difluoromethyl)-5-phenyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447257
7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460100
7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2056140
N-butan-2-yl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689566
7-(difluoromethyl)-N-(3-hydroxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447322

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4071577) is N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QUSGUOHFAFRBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-3-11(2)22-18(25)13-10-21-24-15(16(19)20)9-14(23-17(13)24)12-7-5-4-6-8-12/h4-11,16H,3H2,1-2H3,(H,22,25).
What are the key properties of N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4071577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).