5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C13H11ClF3N3 — CID 135636406

IUPAC5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)C1CC(c2ccc(Cl)cc2)Nc2ccnn21
InChIInChI=1S/C13H11ClF3N3/c14-9-3-1-8(2-4-9)10-7-11(13(15,16)17)20-12(19-10)5-6-18-20/h1-6,10-11,19H,7H2
InChIKeyRHTKMLZRKWAMSH-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.20
Rot. Bonds1

About 5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 135636406) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID135636406
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC Name5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)C1CC(c2ccc(Cl)cc2)Nc2ccnn21
InChIInChI=1S/C13H11ClF3N3/c14-9-3-1-8(2-4-9)10-7-11(13(15,16)17)20-12(19-10)5-6-18-20/h1-6,10-11,19H,7H2
InChIKeyRHTKMLZRKWAMSH-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((2-chlorophenyl)methyl)-1H-pyrazol-5-amine
CID 2560633
(R)-5-chloro-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 44590042
1-(4-Chlorobenzyl)-1H-pyrazol-3-amine
CID 673690
7-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136030827
5-chloro-N-(4-(trifluoromethyl)benzyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 44589988
5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 44590041
1-[(3-chlorophenyl)methyl]-1H-pyrazol-5-amine
CID 7130777
5-chloro-N-(2-(trifluoromethyl)benzyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 44589883
5-chloro-N-(4-chlorobenzyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 44589940
5-Phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767593
1-[(4-chlorophenyl)methyl]-1H-pyrazol-5-amine hydrochloride
CID 16257256
1-(4-chlorobenzyl)-3-[1-(pentafluorobenzyl)-1H-pyrazol-3-yl]thiourea
CID 2206350

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 135636406) is 5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is FC(F)(F)C1CC(c2ccc(Cl)cc2)Nc2ccnn21.
What is the InChIKey of 5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is RHTKMLZRKWAMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c14-9-3-1-8(2-4-9)10-7-11(13(15,16)17)20-12(19-10)5-6-18-20/h1-6,10-11,19H,7H2.
What are the key properties of 5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 301.70 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135636406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).