3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide

C26H21F3N4O4 — CID 16745784

IUPAC3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(OC)cc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)[nH]n2)cc1
InChIInChI=1S/C26H21F3N4O4/c1-36-20-8-6-15(7-9-20)22-14-23(33-32-22)25(35)31-19-10-16(11-21(13-19)37-2)24(34)30-18-5-3-4-17(12-18)26(27,28)29/h3-14H,1-2H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyQAUXZQDHMVPPEH-UHFFFAOYSA-N
MW510.47 g/mol
LogP5.62
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 16745784) has the molecular formula C26H21F3N4O4 and a molecular weight of 510.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID16745784
Molecular FormulaC26H21F3N4O4
Molecular Weight510.47 g/mol
Exact Mass510.15
IUPAC Name3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(OC)cc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)[nH]n2)cc1
InChIInChI=1S/C26H21F3N4O4/c1-36-20-8-6-15(7-9-20)22-14-23(33-32-22)25(35)31-19-10-16(11-21(13-19)37-2)24(34)30-18-5-3-4-17(12-18)26(27,28)29/h3-14H,1-2H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyQAUXZQDHMVPPEH-UHFFFAOYSA-N
XLogP5.62
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.47
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide (CID 16745784) is 3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(OC)cc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is QAUXZQDHMVPPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O4/c1-36-20-8-6-15(7-9-20)22-14-23(33-32-22)25(35)31-19-10-16(11-21(13-19)37-2)24(34)30-18-5-3-4-17(12-18)26(27,28)29/h3-14H,1-2H3,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 510.47 g/mol, XLogP of 5.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16745784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).