N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide

C23H26N4O — CID 97137368

IUPACN-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(N[C@H](CN1CCCC1)c1ccccc1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C23H26N4O/c28-23(21-11-6-8-19(16-21)17-27-15-7-12-24-27)25-22(18-26-13-4-5-14-26)20-9-2-1-3-10-20/h1-3,6-12,15-16,22H,4-5,13-14,17-18H2,(H,25,28)/t22-/m1/s1
InChIKeyZGGDLMMDWMBQIJ-JOCHJYFZSA-N
MW374.49 g/mol
LogP3.50
Rot. Bonds7

About N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide

N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 97137368) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID97137368
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(N[C@H](CN1CCCC1)c1ccccc1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C23H26N4O/c28-23(21-11-6-8-19(16-21)17-27-15-7-12-24-27)25-22(18-26-13-4-5-14-26)20-9-2-1-3-10-20/h1-3,6-12,15-16,22H,4-5,13-14,17-18H2,(H,25,28)/t22-/m1/s1
InChIKeyZGGDLMMDWMBQIJ-JOCHJYFZSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9150722
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CID 110001285
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 141063851
N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
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N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 50973724
N-(1-phenylbut-3-ynyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 71908993
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]furan-3-carboxamide
CID 97189860
(2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide
CID 70712301
N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 120567447
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 60505090

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide (CID 97137368) is N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide is O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is ZGGDLMMDWMBQIJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(21-11-6-8-19(16-21)17-27-15-7-12-24-27)25-22(18-26-13-4-5-14-26)20-9-2-1-3-10-20/h1-3,6-12,15-16,22H,4-5,13-14,17-18H2,(H,25,28)/t22-/m1/s1.
What are the key properties of N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 374.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 97137368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).