N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide

C19H22FN3O — CID 131636008

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1C1CNNC1
InChIInChI=1S/C19H22FN3O/c1-12-9-15(5-8-18(12)16-10-21-22-11-16)19(24)23-13(2)14-3-6-17(20)7-4-14/h3-9,13,16,21-22H,10-11H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyNKTBGMUGMLFUIK-CYBMUJFWSA-N
MW327.40 g/mol
LogP2.82
Rot. Bonds4

About N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636008) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide
PubChem CID131636008
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1C1CNNC1
InChIInChI=1S/C19H22FN3O/c1-12-9-15(5-8-18(12)16-10-21-22-11-16)19(24)23-13(2)14-3-6-17(20)7-4-14/h3-9,13,16,21-22H,10-11H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyNKTBGMUGMLFUIK-CYBMUJFWSA-N
XLogP2.82
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide (CID 131636008) is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide is Cc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1C1CNNC1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide?
The InChIKey is NKTBGMUGMLFUIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-12-9-15(5-8-18(12)16-10-21-22-11-16)19(24)23-13(2)14-3-6-17(20)7-4-14/h3-9,13,16,21-22H,10-11H2,1-2H3,(H,23,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide has a molecular weight of 327.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).