N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide

C18H23ClN4O2 — CID 95125643

IUPACN'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide
SMILESCc1cc(C)n([C@H](C)CNC(=O)CC(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C18H23ClN4O2/c1-11-5-6-15(19)8-16(11)21-18(25)9-17(24)20-10-14(4)23-13(3)7-12(2)22-23/h5-8,14H,9-10H2,1-4H3,(H,20,24)(H,21,25)/t14-/m1/s1
InChIKeyVHIGOPQNLTYOAG-CQSZACIVSA-N
MW362.86 g/mol
LogP3.17
Rot. Bonds6

About N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide

N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide (PubChem CID 95125643) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide
PubChem CID95125643
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide
SMILESCc1cc(C)n([C@H](C)CNC(=O)CC(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C18H23ClN4O2/c1-11-5-6-15(19)8-16(11)21-18(25)9-17(24)20-10-14(4)23-13(3)7-12(2)22-23/h5-8,14H,9-10H2,1-4H3,(H,20,24)(H,21,25)/t14-/m1/s1
InChIKeyVHIGOPQNLTYOAG-CQSZACIVSA-N
XLogP3.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693220
(3S)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide
CID 8722013
6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
CID 99949687
N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946767
N-(5-chloro-2-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955176
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide
CID 74234825
(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693215
N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide
CID 131904454
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide (CID 95125643) is N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide is Cc1cc(C)n([C@H](C)CNC(=O)CC(=O)Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide?
The InChIKey is VHIGOPQNLTYOAG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-11-5-6-15(19)8-16(11)21-18(25)9-17(24)20-10-14(4)23-13(3)7-12(2)22-23/h5-8,14H,9-10H2,1-4H3,(H,20,24)(H,21,25)/t14-/m1/s1.
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide?
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide has a molecular weight of 362.86 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide is sourced from PubChem (CID 95125643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).