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

C17H23N3O3 — CID 19293707

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCn2nc(C)cc2C)c1
InChIInChI=1S/C17H23N3O3/c1-12-8-13(2)20(19-12)7-5-6-18-17(21)14-9-15(22-3)11-16(10-14)23-4/h8-11H,5-7H2,1-4H3,(H,18,21)
InChIKeyPMVWPEPCNNWPSR-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.34
Rot. Bonds7

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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide (PubChem CID 19293707) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
PubChem CID19293707
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCn2nc(C)cc2C)c1
InChIInChI=1S/C17H23N3O3/c1-12-8-13(2)20(19-12)7-5-6-18-17(21)14-9-15(22-3)11-16(10-14)23-4/h8-11H,5-7H2,1-4H3,(H,18,21)
InChIKeyPMVWPEPCNNWPSR-UHFFFAOYSA-N
XLogP2.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19293688
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 4863020
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536108
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-4-carboxamide
CID 115599440
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-iodothiophene-3-carboxamide
CID 78949506
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
CID 77095486
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethoxy)acetamide
CID 103601796

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide (CID 19293707) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCCn2nc(C)cc2C)c1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide?
The InChIKey is PMVWPEPCNNWPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-8-13(2)20(19-12)7-5-6-18-17(21)14-9-15(22-3)11-16(10-14)23-4/h8-11H,5-7H2,1-4H3,(H,18,21).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide has a molecular weight of 317.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 19293707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).