N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide

C24H25F3N4O2 — CID 69368941

IUPACN-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCC1CCCN1
InChIInChI=1S/C24H25F3N4O2/c1-31-21(9-12-29-31)20-15-19(7-8-22(20)33-13-10-18-6-3-11-28-18)30-23(32)16-4-2-5-17(14-16)24(25,26)27/h2,4-5,7-9,12,14-15,18,28H,3,6,10-11,13H2,1H3,(H,30,32)
InChIKeyJNAXJQXYFSVSCW-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.88
Rot. Bonds7

About N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide

N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 69368941) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID69368941
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCC1CCCN1
InChIInChI=1S/C24H25F3N4O2/c1-31-21(9-12-29-31)20-15-19(7-8-22(20)33-13-10-18-6-3-11-28-18)30-23(32)16-4-2-5-17(14-16)24(25,26)27/h2,4-5,7-9,12,14-15,18,28H,3,6,10-11,13H2,1H3,(H,30,32)
InChIKeyJNAXJQXYFSVSCW-UHFFFAOYSA-N
XLogP4.88
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide (CID 69368941) is N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide is Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCC1CCCN1.
What is the InChIKey of N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JNAXJQXYFSVSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-31-21(9-12-29-31)20-15-19(7-8-22(20)33-13-10-18-6-3-11-28-18)30-23(32)16-4-2-5-17(14-16)24(25,26)27/h2,4-5,7-9,12,14-15,18,28H,3,6,10-11,13H2,1H3,(H,30,32).
What are the key properties of N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 458.48 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69368941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).