N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide

C24H17F3N6O2 — CID 46879459

IUPACN-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C24H17F3N6O2/c1-35-21-6-5-17(32-23(34)14-3-2-4-16(9-14)24(25,26)27)10-18(21)20-7-8-28-22-19(13-31-33(20)22)15-11-29-30-12-15/h2-13H,1H3,(H,29,30)(H,32,34)
InChIKeyQEEYCINITWXPKV-UHFFFAOYSA-N
MW478.43 g/mol
LogP5.07
Rot. Bonds5

About N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 46879459) has the molecular formula C24H17F3N6O2 and a molecular weight of 478.43 g/mol. Its IUPAC name is N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID46879459
Molecular FormulaC24H17F3N6O2
Molecular Weight478.43 g/mol
Exact Mass478.14
IUPAC NameN-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C24H17F3N6O2/c1-35-21-6-5-17(32-23(34)14-3-2-4-16(9-14)24(25,26)27)10-18(21)20-7-8-28-22-19(13-31-33(20)22)15-11-29-30-12-15/h2-13H,1H3,(H,29,30)(H,32,34)
InChIKeyQEEYCINITWXPKV-UHFFFAOYSA-N
XLogP5.07
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.43
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 137797033
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CID 44577779
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CID 70496955
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CID 70497218
CID 70497218
CID 70497481
CID 70497481
CID 71735440
CID 71735440
CID 71737355
CID 71737355
CID 135200194
CID 135200194
CID 135379267
CID 135379267
CID 66563698
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CID 54765280
CID 54765280

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 46879459) is N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide is COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc2c(-c3cn[nH]c3)cnn12.
What is the InChIKey of N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QEEYCINITWXPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O2/c1-35-21-6-5-17(32-23(34)14-3-2-4-16(9-14)24(25,26)27)10-18(21)20-7-8-28-22-19(13-31-33(20)22)15-11-29-30-12-15/h2-13H,1H3,(H,29,30)(H,32,34).
What are the key properties of N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 478.43 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46879459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).