N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide

C17H23N3O2 — CID 30954909

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCCCn2nc(C)cc2C)c1
InChIInChI=1S/C17H23N3O2/c1-13-10-14(2)20(19-13)9-5-8-18-17(21)16-7-4-6-15(11-16)12-22-3/h4,6-7,10-11H,5,8-9,12H2,1-3H3,(H,18,21)
InChIKeyRKFWDQCHAXOVKU-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.47
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide (PubChem CID 30954909) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide
PubChem CID30954909
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCCCn2nc(C)cc2C)c1
InChIInChI=1S/C17H23N3O2/c1-13-10-14(2)20(19-13)9-5-8-18-17(21)16-7-4-6-15(11-16)12-22-3/h4,6-7,10-11H,5,8-9,12H2,1-3H3,(H,18,21)
InChIKeyRKFWDQCHAXOVKU-UHFFFAOYSA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide (CID 30954909) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCCCn2nc(C)cc2C)c1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide?
The InChIKey is RKFWDQCHAXOVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-10-14(2)20(19-13)9-5-8-18-17(21)16-7-4-6-15(11-16)12-22-3/h4,6-7,10-11H,5,8-9,12H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 30954909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).