N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide

C17H21ClN4O2 — CID 97348025

IUPACN-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)NC[C@@H](Cc2cnn(C)c2)C(N)=O)cc1C
InChIInChI=1S/C17H21ClN4O2/c1-10-4-14(15(18)5-11(10)2)17(24)20-8-13(16(19)23)6-12-7-21-22(3)9-12/h4-5,7,9,13H,6,8H2,1-3H3,(H2,19,23)(H,20,24)/t13-/m1/s1
InChIKeyTUPSDTGEWUSWQC-CYBMUJFWSA-N
MW348.83 g/mol
LogP1.76
Rot. Bonds6

About N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide

N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide (PubChem CID 97348025) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide
PubChem CID97348025
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)NC[C@@H](Cc2cnn(C)c2)C(N)=O)cc1C
InChIInChI=1S/C17H21ClN4O2/c1-10-4-14(15(18)5-11(10)2)17(24)20-8-13(16(19)23)6-12-7-21-22(3)9-12/h4-5,7,9,13H,6,8H2,1-3H3,(H2,19,23)(H,20,24)/t13-/m1/s1
InChIKeyTUPSDTGEWUSWQC-CYBMUJFWSA-N
XLogP1.76
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide 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

2-[[3-(5-methylfuran-2-yl)prop-2-enoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71908562
(2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 97075482
2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71908160
2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 75449927
2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride
CID 167951649
2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 75391651
5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184699
N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 97249352
N-[3-amino-2-[(2-chlorophenyl)methyl]-3-oxopropyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 166198105
5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 167818894
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19292310
(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid
CID 29061487

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide?
The IUPAC name of N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide (CID 97348025) is N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide.
What is the SMILES notation for N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide?
The canonical SMILES for N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide is Cc1cc(Cl)c(C(=O)NC[C@@H](Cc2cnn(C)c2)C(N)=O)cc1C.
What is the InChIKey of N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide?
The InChIKey is TUPSDTGEWUSWQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-10-4-14(15(18)5-11(10)2)17(24)20-8-13(16(19)23)6-12-7-21-22(3)9-12/h4-5,7,9,13H,6,8H2,1-3H3,(H2,19,23)(H,20,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide?
N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide has a molecular weight of 348.83 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide is sourced from PubChem (CID 97348025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).