4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide

C19H25N3O3 — CID 167767001

IUPAC4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
SMILESCCCc1ccc(-c2cc(NC(=O)C3(OC)CCOCC3)n[nH]2)cc1
InChIInChI=1S/C19H25N3O3/c1-3-4-14-5-7-15(8-6-14)16-13-17(22-21-16)20-18(23)19(24-2)9-11-25-12-10-19/h5-8,13H,3-4,9-12H2,1-2H3,(H2,20,21,22,23)
InChIKeyGRORAKCGXMOUQZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.16
Rot. Bonds6

About 4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide

4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide (PubChem CID 167767001) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
PubChem CID167767001
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
SMILESCCCc1ccc(-c2cc(NC(=O)C3(OC)CCOCC3)n[nH]2)cc1
InChIInChI=1S/C19H25N3O3/c1-3-4-14-5-7-15(8-6-14)16-13-17(22-21-16)20-18(23)19(24-2)9-11-25-12-10-19/h5-8,13H,3-4,9-12H2,1-2H3,(H2,20,21,22,23)
InChIKeyGRORAKCGXMOUQZ-UHFFFAOYSA-N
XLogP3.16
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide?
The IUPAC name of 4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide (CID 167767001) is 4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide is CCCc1ccc(-c2cc(NC(=O)C3(OC)CCOCC3)n[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide?
The InChIKey is GRORAKCGXMOUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-4-14-5-7-15(8-6-14)16-13-17(22-21-16)20-18(23)19(24-2)9-11-25-12-10-19/h5-8,13H,3-4,9-12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide?
4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 167767001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).