N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide

C22H26N4O — CID 50966908

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide
SMILESCc1ccc(NC(C)(C(=O)NCc2c(C)n[nH]c2C)c2ccccc2)cc1
InChIInChI=1S/C22H26N4O/c1-15-10-12-19(13-11-15)24-22(4,18-8-6-5-7-9-18)21(27)23-14-20-16(2)25-26-17(20)3/h5-13,24H,14H2,1-4H3,(H,23,27)(H,25,26)
InChIKeyUYRNUOIRQYRDPR-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.98
Rot. Bonds6

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide (PubChem CID 50966908) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide
PubChem CID50966908
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide
SMILESCc1ccc(NC(C)(C(=O)NCc2c(C)n[nH]c2C)c2ccccc2)cc1
InChIInChI=1S/C22H26N4O/c1-15-10-12-19(13-11-15)24-22(4,18-8-6-5-7-9-18)21(27)23-14-20-16(2)25-26-17(20)3/h5-13,24H,14H2,1-4H3,(H,23,27)(H,25,26)
InChIKeyUYRNUOIRQYRDPR-UHFFFAOYSA-N
XLogP3.98
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide 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

(2S)-1-(2-phenylacetyl)-N-[4-[3-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 53303349
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
N'-[(3,5-Dimethyl-1H-pyrazol-1-yl)acetyl]-3-phenylbutanehydrazide
CID 25162423
4-(4-isopropylphenyl)-3-methyl-5-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 16020067
N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-5-methyl-1H-indazole-3-carboxamide
CID 9889536
Deltazinone 1
CID 20919929
(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
N-isopropyl-3-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl}benzamide
CID 53317611
N-isopropyl-3-(5-(6-(4-methylpiperazin-1-yl)biphenyl-3-yl)-1H-pyrazol-3-yl)benzamide
CID 53322863
N-(cyanomethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53324194
N-(2-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53326662
N,N-diethyl-2-[4-[2-fluoro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055750

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide (CID 50966908) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide is Cc1ccc(NC(C)(C(=O)NCc2c(C)n[nH]c2C)c2ccccc2)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide?
The InChIKey is UYRNUOIRQYRDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-10-12-19(13-11-15)24-22(4,18-8-6-5-7-9-18)21(27)23-14-20-16(2)25-26-17(20)3/h5-13,24H,14H2,1-4H3,(H,23,27)(H,25,26).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide has a molecular weight of 362.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide is sourced from PubChem (CID 50966908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).