1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide

C18H24ClN3O3 — CID 19275783

IUPAC1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
SMILESCc1ccc(Cl)c(OCn2ccc(C(=O)NCCCOC(C)C)n2)c1
InChIInChI=1S/C18H24ClN3O3/c1-13(2)24-10-4-8-20-18(23)16-7-9-22(21-16)12-25-17-11-14(3)5-6-15(17)19/h5-7,9,11,13H,4,8,10,12H2,1-3H3,(H,20,23)
InChIKeyGRFWAQIHUXVGPC-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.43
Rot. Bonds9

About 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide

1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide (PubChem CID 19275783) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
PubChem CID19275783
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
SMILESCc1ccc(Cl)c(OCn2ccc(C(=O)NCCCOC(C)C)n2)c1
InChIInChI=1S/C18H24ClN3O3/c1-13(2)24-10-4-8-20-18(23)16-7-9-22(21-16)12-25-17-11-14(3)5-6-15(17)19/h5-7,9,11,13H,4,8,10,12H2,1-3H3,(H,20,23)
InChIKeyGRFWAQIHUXVGPC-UHFFFAOYSA-N
XLogP3.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.43
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-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19275198
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275677
1-[(2-chloro-5-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19275546
1-[(2,5-dimethylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19272997
1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275792
N-(1-adamantylmethyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275670
1-[(2-chloro-5-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide
CID 4776755
1-[(2-chloro-5-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19275598
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275548
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273004
1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275041
N-(1-adamantyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275538

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide (CID 19275783) is 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide is Cc1ccc(Cl)c(OCn2ccc(C(=O)NCCCOC(C)C)n2)c1.
What is the InChIKey of 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The InChIKey is GRFWAQIHUXVGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-13(2)24-10-4-8-20-18(23)16-7-9-22(21-16)12-25-17-11-14(3)5-6-15(17)19/h5-7,9,11,13H,4,8,10,12H2,1-3H3,(H,20,23).
What are the key properties of 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19275783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).