N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C28H26F3N5O2 — CID 171681203

IUPACN-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(c3ccc(NC(=O)c4cnn(-c5ccccc5)c4C(F)(F)F)cc3)CC2)c[nH]1
InChIInChI=1S/C28H26F3N5O2/c1-18-15-21(16-32-18)27(38)35-13-11-20(12-14-35)19-7-9-22(10-8-19)34-26(37)24-17-33-36(25(24)28(29,30)31)23-5-3-2-4-6-23/h2-10,15-17,20,32H,11-14H2,1H3,(H,34,37)
InChIKeyMVIRQOIKOCVGDY-UHFFFAOYSA-N
MW521.54 g/mol
LogP5.80
Rot. Bonds5

About N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 171681203) has the molecular formula C28H26F3N5O2 and a molecular weight of 521.54 g/mol. Its IUPAC name is N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID171681203
Molecular FormulaC28H26F3N5O2
Molecular Weight521.54 g/mol
Exact Mass521.20
IUPAC NameN-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(c3ccc(NC(=O)c4cnn(-c5ccccc5)c4C(F)(F)F)cc3)CC2)c[nH]1
InChIInChI=1S/C28H26F3N5O2/c1-18-15-21(16-32-18)27(38)35-13-11-20(12-14-35)19-7-9-22(10-8-19)34-26(37)24-17-33-36(25(24)28(29,30)31)23-5-3-2-4-6-23/h2-10,15-17,20,32H,11-14H2,1H3,(H,34,37)
InChIKeyMVIRQOIKOCVGDY-UHFFFAOYSA-N
XLogP5.80
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.54
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18229003
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24667518
1-phenyl-N-[4-[1-[4-(trifluoromethyl)-1H-pyrrole-2-carbonyl]piperidin-4-yl]phenyl]-1,2,4-triazole-3-carboxamide
CID 171681379
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573032
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579150
N-[4-(azepan-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465714

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 171681203) is N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cc(C(=O)N2CCC(c3ccc(NC(=O)c4cnn(-c5ccccc5)c4C(F)(F)F)cc3)CC2)c[nH]1.
What is the InChIKey of N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is MVIRQOIKOCVGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N5O2/c1-18-15-21(16-32-18)27(38)35-13-11-20(12-14-35)19-7-9-22(10-8-19)34-26(37)24-17-33-36(25(24)28(29,30)31)23-5-3-2-4-6-23/h2-10,15-17,20,32H,11-14H2,1H3,(H,34,37).
What are the key properties of N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 521.54 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 171681203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).