N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide

C25H29N5O2 — CID 142483017

IUPACN-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)C[C@H]2C)n1
InChIInChI=1S/C25H29N5O2/c1-18-15-22(21-7-5-4-6-8-21)9-10-23(18)17-28-13-14-29(19(2)16-28)25(32)30-12-11-24(27-30)26-20(3)31/h4-12,15,19H,13-14,16-17H2,1-3H3,(H,26,27,31)/t19-/m1/s1
InChIKeyWYIIEHSHESASLM-LJQANCHMSA-N
MW431.54 g/mol
LogP3.99
Rot. Bonds4

About N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide

N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide (PubChem CID 142483017) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide
PubChem CID142483017
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)C[C@H]2C)n1
InChIInChI=1S/C25H29N5O2/c1-18-15-22(21-7-5-4-6-8-21)9-10-23(18)17-28-13-14-29(19(2)16-28)25(32)30-12-11-24(27-30)26-20(3)31/h4-12,15,19H,13-14,16-17H2,1-3H3,(H,26,27,31)/t19-/m1/s1
InChIKeyWYIIEHSHESASLM-LJQANCHMSA-N
XLogP3.99
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide 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-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide (CID 142483017) is N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)C[C@H]2C)n1.
What is the InChIKey of N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide?
The InChIKey is WYIIEHSHESASLM-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-15-22(21-7-5-4-6-8-21)9-10-23(18)17-28-13-14-29(19(2)16-28)25(32)30-12-11-24(27-30)26-20(3)31/h4-12,15,19H,13-14,16-17H2,1-3H3,(H,26,27,31)/t19-/m1/s1.
What are the key properties of N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide?
N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 142483017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).