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

C24H25F3N4O2 — CID 69369655

IUPACN-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCCC1CCCN1
InChIInChI=1S/C24H25F3N4O2/c1-31-21(10-13-29-31)20-15-19(8-9-22(20)33-14-11-18-3-2-12-28-18)30-23(32)16-4-6-17(7-5-16)24(25,26)27/h4-10,13,15,18,28H,2-3,11-12,14H2,1H3,(H,30,32)
InChIKeyZHWRHRBQYIDKMQ-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.88
Rot. Bonds7

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

N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 69369655) 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]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID69369655
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCCC1CCCN1
InChIInChI=1S/C24H25F3N4O2/c1-31-21(10-13-29-31)20-15-19(8-9-22(20)33-14-11-18-3-2-12-28-18)30-23(32)16-4-6-17(7-5-16)24(25,26)27/h4-10,13,15,18,28H,2-3,11-12,14H2,1H3,(H,30,32)
InChIKeyZHWRHRBQYIDKMQ-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]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide (CID 69369655) is N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide is Cn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCCC1CCCN1.
What is the InChIKey of N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZHWRHRBQYIDKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-31-21(10-13-29-31)20-15-19(8-9-22(20)33-14-11-18-3-2-12-28-18)30-23(32)16-4-6-17(7-5-16)24(25,26)27/h4-10,13,15,18,28H,2-3,11-12,14H2,1H3,(H,30,32).
What are the key properties of N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(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]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 69369655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).