(2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide

C18H25N3O — CID 94865204

IUPAC(2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide
SMILESCCCc1cn([C@@H](CC)C(=O)N(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H25N3O/c1-5-10-15-13-21(16(6-2)18(22)20(3)4)19-17(15)14-11-8-7-9-12-14/h7-9,11-13,16H,5-6,10H2,1-4H3/t16-/m0/s1
InChIKeyCEXKXWXRDRVIMG-INIZCTEOSA-N
MW299.42 g/mol
LogP3.54
Rot. Bonds6

About (2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide

(2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide (PubChem CID 94865204) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide
PubChem CID94865204
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide
SMILESCCCc1cn([C@@H](CC)C(=O)N(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H25N3O/c1-5-10-15-13-21(16(6-2)18(22)20(3)4)19-17(15)14-11-8-7-9-12-14/h7-9,11-13,16H,5-6,10H2,1-4H3/t16-/m0/s1
InChIKeyCEXKXWXRDRVIMG-INIZCTEOSA-N
XLogP3.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide (CID 94865204) is (2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide is CCCc1cn([C@@H](CC)C(=O)N(C)C)nc1-c1ccccc1.
What is the InChIKey of (2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide?
The InChIKey is CEXKXWXRDRVIMG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O/c1-5-10-15-13-21(16(6-2)18(22)20(3)4)19-17(15)14-11-8-7-9-12-14/h7-9,11-13,16H,5-6,10H2,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide?
(2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide has a molecular weight of 299.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide is sourced from PubChem (CID 94865204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).