3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide

C19H21F2N3O2 — CID 131636013

IUPAC3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
SMILESC[C@@H](NC(=O)c1ccc(C2CNNC2)c(OC(F)F)c1)c1ccccc1
InChIInChI=1S/C19H21F2N3O2/c1-12(13-5-3-2-4-6-13)24-18(25)14-7-8-16(15-10-22-23-11-15)17(9-14)26-19(20)21/h2-9,12,15,19,22-23H,10-11H2,1H3,(H,24,25)/t12-/m1/s1
InChIKeyOARGJVAZQVNIIK-GFCCVEGCSA-N
MW361.39 g/mol
LogP2.97
Rot. Bonds6

About 3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide

3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636013) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
PubChem CID131636013
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
SMILESC[C@@H](NC(=O)c1ccc(C2CNNC2)c(OC(F)F)c1)c1ccccc1
InChIInChI=1S/C19H21F2N3O2/c1-12(13-5-3-2-4-6-13)24-18(25)14-7-8-16(15-10-22-23-11-15)17(9-14)26-19(20)21/h2-9,12,15,19,22-23H,10-11H2,1H3,(H,24,25)/t12-/m1/s1
InChIKeyOARGJVAZQVNIIK-GFCCVEGCSA-N
XLogP2.97
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide (CID 131636013) is 3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide is C[C@@H](NC(=O)c1ccc(C2CNNC2)c(OC(F)F)c1)c1ccccc1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
The InChIKey is OARGJVAZQVNIIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-12(13-5-3-2-4-6-13)24-18(25)14-7-8-16(15-10-22-23-11-15)17(9-14)26-19(20)21/h2-9,12,15,19,22-23H,10-11H2,1H3,(H,24,25)/t12-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide has a molecular weight of 361.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).