1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine

C17H14F3N5O — CID 141405347

IUPAC1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C(F)(F)F)cc1-c1[nH]ncc1N1CC=C2N=CC=CN21
InChIInChI=1S/C17H14F3N5O/c1-26-14-4-3-11(17(18,19)20)9-12(14)16-13(10-22-23-16)24-8-5-15-21-6-2-7-25(15)24/h2-7,9-10H,8H2,1H3,(H,22,23)
InChIKeyBPWWFQHPOPRFDU-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.58
Rot. Bonds3

About 1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine

1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine (PubChem CID 141405347) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is 1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
PubChem CID141405347
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C(F)(F)F)cc1-c1[nH]ncc1N1CC=C2N=CC=CN21
InChIInChI=1S/C17H14F3N5O/c1-26-14-4-3-11(17(18,19)20)9-12(14)16-13(10-22-23-16)24-8-5-15-21-6-2-7-25(15)24/h2-7,9-10H,8H2,1H3,(H,22,23)
InChIKeyBPWWFQHPOPRFDU-UHFFFAOYSA-N
XLogP3.58
TPSA56.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601323
3-(4-methoxyphenyl)-4H-pyrazol-4-one N-[4-(trifluoromethyl)phenyl]hydrazone
CID 3782731
1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-phenyl-1,4-diazepane
CID 16189893
N-ethyl-N-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine
CID 16191261
N-[2-methoxy-5-(1H-pyrazol-3-yl)benzyl]cyclopentanamine
CID 39841026
4-{(E)-2-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethenyl}-6-(trifluoromethyl)pyrimidin-2-ol
CID 5740510
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methylethanamine
CID 42593879
3-[4-Methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazole
CID 50951512

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine (CID 141405347) is 1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine is COc1ccc(C(F)(F)F)cc1-c1[nH]ncc1N1CC=C2N=CC=CN21.
What is the InChIKey of 1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is BPWWFQHPOPRFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c1-26-14-4-3-11(17(18,19)20)9-12(14)16-13(10-22-23-16)24-8-5-15-21-6-2-7-25(15)24/h2-7,9-10H,8H2,1H3,(H,22,23).
What are the key properties of 1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 361.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141405347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).