N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide

C17H23N3O2 — CID 3043183

IUPACN,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide
SMILESCCCCCOc1cc(C(=O)N(C)C)nn1-c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-4-5-9-12-22-16-13-15(17(21)19(2)3)18-20(16)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3
InChIKeyOGBLRSUWNPZVTI-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.14
Rot. Bonds7

About N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide

N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 3043183) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide
PubChem CID3043183
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide
SMILESCCCCCOc1cc(C(=O)N(C)C)nn1-c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-4-5-9-12-22-16-13-15(17(21)19(2)3)18-20(16)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3
InChIKeyOGBLRSUWNPZVTI-UHFFFAOYSA-N
XLogP3.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
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,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide (CID 3043183) is N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide is CCCCCOc1cc(C(=O)N(C)C)nn1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is OGBLRSUWNPZVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-5-9-12-22-16-13-15(17(21)19(2)3)18-20(16)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3.
What are the key properties of N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide?
N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 3043183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).