1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide

C17H23N3O2 — CID 19275922

IUPAC1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1ccn(COc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H23N3O2/c1-4-10-18-17(21)16-9-11-20(19-16)12-22-15-7-5-14(6-8-15)13(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,18,21)
InChIKeyPUKSPLRLNRQXIM-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.18
Rot. Bonds7

About 1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide

1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide (PubChem CID 19275922) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
PubChem CID19275922
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1ccn(COc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H23N3O2/c1-4-10-18-17(21)16-9-11-20(19-16)12-22-15-7-5-14(6-8-15)13(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,18,21)
InChIKeyPUKSPLRLNRQXIM-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275835
N-(3-methoxypropyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276079
N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275845
1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide
CID 19269231
1-[(4-propan-2-ylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
CID 19275815
ethyl (E)-3-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoate
CID 19276032
dimethyl 5-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19275813
N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273294
1-[(4-bromophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
CID 19272514
N-(2-cyanophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275980
N-(3-ethoxypropyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269479
N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275986

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide?
The IUPAC name of 1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide (CID 19275922) is 1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1ccn(COc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide?
The InChIKey is PUKSPLRLNRQXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-10-18-17(21)16-9-11-20(19-16)12-22-15-7-5-14(6-8-15)13(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,18,21).
What are the key properties of 1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide?
1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 19275922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).