5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C14H10ClF3N4 — CID 44589988

IUPAC5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1ccc(CNc2cc(Cl)nc3ccnn23)cc1
InChIInChI=1S/C14H10ClF3N4/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-1-3-10(4-2-9)14(16,17)18/h1-7,19H,8H2
InChIKeyKEPUNIVZVSRZSU-UHFFFAOYSA-N
MW326.71 g/mol
LogP4.01
Rot. Bonds3

About 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 44589988) has the molecular formula C14H10ClF3N4 and a molecular weight of 326.71 g/mol. Its IUPAC name is 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID44589988
Molecular FormulaC14H10ClF3N4
Molecular Weight326.71 g/mol
Exact Mass326.05
IUPAC Name5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1ccc(CNc2cc(Cl)nc3ccnn23)cc1
InChIInChI=1S/C14H10ClF3N4/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-1-3-10(4-2-9)14(16,17)18/h1-7,19H,8H2
InChIKeyKEPUNIVZVSRZSU-UHFFFAOYSA-N
XLogP4.01
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227530
BS-181
CID 49867929
6-chloro-1-methyl-N-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 131801461
N-butan-2-yl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 3256374
3-(4-Chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 754790
3-[1-(difluoromethyl)pyrazol-4-yl]-N-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168269074
1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 930787
N-(3-pyridinylmethyl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 1484500
3-Chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 1489141

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 44589988) is 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1ccc(CNc2cc(Cl)nc3ccnn23)cc1.
What is the InChIKey of 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KEPUNIVZVSRZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-1-3-10(4-2-9)14(16,17)18/h1-7,19H,8H2.
What are the key properties of 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 326.71 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 44589988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).