N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H13F3N4O2 — CID 155775673

IUPACN-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1c[nH]n2c(=O)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)10-3-1-9(2-4-10)13-7-14(25)24-15(23-13)12(8-21-24)16(26)22-11-5-6-11/h1-4,7-8,11,21H,5-6H2,(H,22,26)
InChIKeyCQAWAARIWACGKI-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.60
Rot. Bonds3

About N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155775673) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155775673
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC NameN-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1c[nH]n2c(=O)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)10-3-1-9(2-4-10)13-7-14(25)24-15(23-13)12(8-21-24)16(26)22-11-5-6-11/h1-4,7-8,11,21H,5-6H2,(H,22,26)
InChIKeyCQAWAARIWACGKI-UHFFFAOYSA-N
XLogP2.60
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59333281
3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925349
5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129454703
ethyl 5-[4-(1,1-difluoroprop-2-enyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 162614062
7-oxo-5-phenyl-N-(piperidin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71200715
N-cyclopropyl-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788054
5-(4-ethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164541025
N-cyclopropyl-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3638187
5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 158883781
5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83678981
N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84557279
N-cyclopentyl-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459835

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155775673) is N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CC1)c1c[nH]n2c(=O)cc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CQAWAARIWACGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)10-3-1-9(2-4-10)13-7-14(25)24-15(23-13)12(8-21-24)16(26)22-11-5-6-11/h1-4,7-8,11,21H,5-6H2,(H,22,26).
What are the key properties of N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155775673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).