N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide

C29H30N4O — CID 6710997

IUPACN-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCC(NC(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C29H30N4O/c1-21-28(22(2)33(31-21)25-13-7-4-8-14-25)20-32-18-17-24(19-32)30-29(34)27-16-10-9-15-26(27)23-11-5-3-6-12-23/h3-16,24H,17-20H2,1-2H3,(H,30,34)
InChIKeyQDQTZJBZQNATOY-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.16
Rot. Bonds6

About N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide

N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide (PubChem CID 6710997) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide
PubChem CID6710997
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC NameN-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCC(NC(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C29H30N4O/c1-21-28(22(2)33(31-21)25-13-7-4-8-14-25)20-32-18-17-24(19-32)30-29(34)27-16-10-9-15-26(27)23-11-5-3-6-12-23/h3-16,24H,17-20H2,1-2H3,(H,30,34)
InChIKeyQDQTZJBZQNATOY-UHFFFAOYSA-N
XLogP5.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 75470933
2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride
CID 67037773
1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 19331795
2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 110880028
1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968586
1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea
CID 110747761
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
CID 120834049
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
CID 98042268
(4aS,7aS)-6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 129378900
1-(1-benzylpiperidin-4-yl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethylguanidine;hydroiodide
CID 110987029

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide (CID 6710997) is N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide is Cc1nn(-c2ccccc2)c(C)c1CN1CCC(NC(=O)c2ccccc2-c2ccccc2)C1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide?
The InChIKey is QDQTZJBZQNATOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-21-28(22(2)33(31-21)25-13-7-4-8-14-25)20-32-18-17-24(19-32)30-29(34)27-16-10-9-15-26(27)23-11-5-3-6-12-23/h3-16,24H,17-20H2,1-2H3,(H,30,34).
What are the key properties of N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide?
N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide has a molecular weight of 450.59 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide is sourced from PubChem (CID 6710997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).