3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide

C22H24FN5O — CID 99741585

IUPAC3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
SMILESCN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1
InChIInChI=1S/C22H24FN5O/c1-27(2)19-5-3-4-16(12-19)22(29)24-18-10-11-28(14-18)21-13-20(25-26-21)15-6-8-17(23)9-7-15/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,24,29)(H,25,26)/t18-/m1/s1
InChIKeyJGHPWRGTOGGCQW-GOSISDBHSA-N
MW393.47 g/mol
LogP3.29
Rot. Bonds5

About 3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide

3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide (PubChem CID 99741585) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
PubChem CID99741585
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
SMILESCN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1
InChIInChI=1S/C22H24FN5O/c1-27(2)19-5-3-4-16(12-19)22(29)24-18-10-11-28(14-18)21-13-20(25-26-21)15-6-8-17(23)9-7-15/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,24,29)(H,25,26)/t18-/m1/s1
InChIKeyJGHPWRGTOGGCQW-GOSISDBHSA-N
XLogP3.29
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide
CID 99741295
3-(dimethylamino)-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741492
3-fluoro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741564
3-chloro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741552
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 99740991
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-(dimethylamino)benzamide
CID 99741297
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 91904890
3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91904828
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-methoxybenzamide
CID 99741627
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-fluoro-4-methylbenzamide
CID 99741527
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methoxybenzamide
CID 91888027

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide (CID 99741585) is 3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide is CN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The InChIKey is JGHPWRGTOGGCQW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-27(2)19-5-3-4-16(12-19)22(29)24-18-10-11-28(14-18)21-13-20(25-26-21)15-6-8-17(23)9-7-15/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,24,29)(H,25,26)/t18-/m1/s1.
What are the key properties of 3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide has a molecular weight of 393.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 99741585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).