N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C22H18F3N5O — CID 39898328

IUPACN-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1
InChIInChI=1S/C22H18F3N5O/c23-22(24,25)16-6-5-8-18(14-16)30-21(29-12-3-4-13-29)19(15-28-30)20(31)27-11-9-17-7-1-2-10-26-17/h1-8,10,12-15H,9,11H2,(H,27,31)
InChIKeyXVWIVAYRSSJRGS-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.05
Rot. Bonds6

About N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 39898328) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID39898328
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC NameN-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1
InChIInChI=1S/C22H18F3N5O/c23-22(24,25)16-6-5-8-18(14-16)30-21(29-12-3-4-13-29)19(15-28-30)20(31)27-11-9-17-7-1-2-10-26-17/h1-8,10,12-15H,9,11H2,(H,27,31)
InChIKeyXVWIVAYRSSJRGS-UHFFFAOYSA-N
XLogP4.05
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 37036339
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55577902
N-pyridin-2-yl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 32699923
1-methyl-N-(2-pyridin-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802627
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55583430
N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46652635
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-benzyl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25470234
5-methyl-N-(2-pyridin-3-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30768894
N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892553
2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 42735214
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119384458

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 39898328) is N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is O=C(NCCc1ccccn1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is XVWIVAYRSSJRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c23-22(24,25)16-6-5-8-18(14-16)30-21(29-12-3-4-13-29)19(15-28-30)20(31)27-11-9-17-7-1-2-10-26-17/h1-8,10,12-15H,9,11H2,(H,27,31).
What are the key properties of N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39898328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).