3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide

C22H25N5O — CID 91887996

IUPAC3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)C2)c1
InChIInChI=1S/C22H25N5O/c1-26(2)19-10-6-9-17(13-19)22(28)23-18-11-12-27(15-18)21-14-20(24-25-21)16-7-4-3-5-8-16/h3-10,13-14,18H,11-12,15H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyRIGQLHNSZJTRRB-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.15
Rot. Bonds5

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

3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (PubChem CID 91887996) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
PubChem CID91887996
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)C2)c1
InChIInChI=1S/C22H25N5O/c1-26(2)19-10-6-9-17(13-19)22(28)23-18-11-12-27(15-18)21-14-20(24-25-21)16-7-4-3-5-8-16/h3-10,13-14,18H,11-12,15H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyRIGQLHNSZJTRRB-UHFFFAOYSA-N
XLogP3.15
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (CID 91887996) is 3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is CN(C)c1cccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)C2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is RIGQLHNSZJTRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26(2)19-10-6-9-17(13-19)22(28)23-18-11-12-27(15-18)21-14-20(24-25-21)16-7-4-3-5-8-16/h3-10,13-14,18H,11-12,15H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of 3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 375.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 91887996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).