4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C22H21F3N4O4S — CID 26725545

IUPAC4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H21F3N4O4S/c1-33-19-8-5-15(13-20(19)34(31,32)28-10-2-3-11-28)21(30)27-17-14-16(22(23,24)25)6-7-18(17)29-12-4-9-26-29/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,30)
InChIKeyNEFBZHZRCCAUBZ-UHFFFAOYSA-N
MW494.50 g/mol
LogP3.94
Rot. Bonds6

About 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26725545) has the molecular formula C22H21F3N4O4S and a molecular weight of 494.50 g/mol. Its IUPAC name is 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26725545
Molecular FormulaC22H21F3N4O4S
Molecular Weight494.50 g/mol
Exact Mass494.12
IUPAC Name4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H21F3N4O4S/c1-33-19-8-5-15(13-20(19)34(31,32)28-10-2-3-11-28)21(30)27-17-14-16(22(23,24)25)6-7-18(17)29-12-4-9-26-29/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,30)
InChIKeyNEFBZHZRCCAUBZ-UHFFFAOYSA-N
XLogP3.94
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892199
4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26175468
4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725553
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892289
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 27298305
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78817314
N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38749018
4-methoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29409098

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 26725545) is 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is NEFBZHZRCCAUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4S/c1-33-19-8-5-15(13-20(19)34(31,32)28-10-2-3-11-28)21(30)27-17-14-16(22(23,24)25)6-7-18(17)29-12-4-9-26-29/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,30).
What are the key properties of 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 494.50 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26725545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).