N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide

C24H25F3N4O3 — CID 66927974

IUPACN-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CC[C@H](O)C1
InChIInChI=1S/C24H25F3N4O3/c1-30-21(7-9-28-30)20-14-18(5-6-22(20)34-12-11-31-10-8-19(32)15-31)29-23(33)16-3-2-4-17(13-16)24(25,26)27/h2-7,9,13-14,19,32H,8,10-12,15H2,1H3,(H,29,33)/t19-/m0/s1
InChIKeyCYGYPCGLAWWOEP-IBGZPJMESA-N
MW474.48 g/mol
LogP3.80
Rot. Bonds7

About N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 66927974) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID66927974
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CC[C@H](O)C1
InChIInChI=1S/C24H25F3N4O3/c1-30-21(7-9-28-30)20-14-18(5-6-22(20)34-12-11-31-10-8-19(32)15-31)29-23(33)16-3-2-4-17(13-16)24(25,26)27/h2-7,9,13-14,19,32H,8,10-12,15H2,1H3,(H,29,33)/t19-/m0/s1
InChIKeyCYGYPCGLAWWOEP-IBGZPJMESA-N
XLogP3.80
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 66927974) is N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide is Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CC[C@H](O)C1.
What is the InChIKey of N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CYGYPCGLAWWOEP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-30-21(7-9-28-30)20-14-18(5-6-22(20)34-12-11-31-10-8-19(32)15-31)29-23(33)16-3-2-4-17(13-16)24(25,26)27/h2-7,9,13-14,19,32H,8,10-12,15H2,1H3,(H,29,33)/t19-/m0/s1.
What are the key properties of N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 474.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 66927974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).