N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide

C18H24N4O — CID 56675668

IUPACN-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide
SMILESCC(C)N1CC[C@@H](N(C)C(=O)c2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C18H24N4O/c1-14(2)21-12-9-17(13-21)20(3)18(23)15-5-7-16(8-6-15)22-11-4-10-19-22/h4-8,10-11,14,17H,9,12-13H2,1-3H3/t17-/m1/s1
InChIKeyDLLDFEGVGAAWNL-QGZVFWFLSA-N
MW312.42 g/mol
LogP2.43
Rot. Bonds4

About N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide

N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide (PubChem CID 56675668) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide
PubChem CID56675668
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide
SMILESCC(C)N1CC[C@@H](N(C)C(=O)c2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C18H24N4O/c1-14(2)21-12-9-17(13-21)20(3)18(23)15-5-7-16(8-6-15)22-11-4-10-19-22/h4-8,10-11,14,17H,9,12-13H2,1-3H3/t17-/m1/s1
InChIKeyDLLDFEGVGAAWNL-QGZVFWFLSA-N
XLogP2.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide 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 N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide (CID 56675668) is N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide is CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide?
The InChIKey is DLLDFEGVGAAWNL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(2)21-12-9-17(13-21)20(3)18(23)15-5-7-16(8-6-15)22-11-4-10-19-22/h4-8,10-11,14,17H,9,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide?
N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide has a molecular weight of 312.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 56675668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).