N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide

C19H20N4O — CID 90385104

IUPACN-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(C(=O)N[C@H](CN)c2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H20N4O/c1-13-9-15(7-8-17(13)16-11-21-22-12-16)19(24)23-18(10-20)14-5-3-2-4-6-14/h2-9,11-12,18H,10,20H2,1H3,(H,21,22)(H,23,24)/t18-/m1/s1
InChIKeyWPXXNWXNNZASGI-GOSISDBHSA-N
MW320.40 g/mol
LogP2.81
Rot. Bonds5

About N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide

N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 90385104) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
PubChem CID90385104
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(C(=O)N[C@H](CN)c2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H20N4O/c1-13-9-15(7-8-17(13)16-11-21-22-12-16)19(24)23-18(10-20)14-5-3-2-4-6-14/h2-9,11-12,18H,10,20H2,1H3,(H,21,22)(H,23,24)/t18-/m1/s1
InChIKeyWPXXNWXNNZASGI-GOSISDBHSA-N
XLogP2.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-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

Related Compounds

N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
CID 10469531
6-(2-aminoethyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982356
6-(3-aminopropyl)-4-bromo-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982488
6-(3-aminopropyl)-4-phenyl-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982612
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methyl-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995074
6-(2-aminoethyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443518
6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443519
6-(3-aminopropyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443521
6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)-4-vinylbenzo[h]isoquinolin-1(2H)-one
CID 44443536
6-(3-aminopropyl)-4-(2-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443539
6-(3-aminopropyl)-4-(3-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443542

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide (CID 90385104) is N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide is Cc1cc(C(=O)N[C@H](CN)c2ccccc2)ccc1-c1cn[nH]c1.
What is the InChIKey of N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is WPXXNWXNNZASGI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-9-15(7-8-17(13)16-11-21-22-12-16)19(24)23-18(10-20)14-5-3-2-4-6-14/h2-9,11-12,18H,10,20H2,1H3,(H,21,22)(H,23,24)/t18-/m1/s1.
What are the key properties of N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 320.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 90385104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).