2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide

C19H22ClN5O2 — CID 19507154

IUPAC2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccnn2COc2ccccc2Cl)n1
InChIInChI=1S/C19H22ClN5O2/c1-14-12-15(2)24(23-14)11-5-9-21-19(26)17-8-10-22-25(17)13-27-18-7-4-3-6-16(18)20/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H,21,26)
InChIKeyCHHBUPUXDXMPJS-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.21
Rot. Bonds8

About 2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide

2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide (PubChem CID 19507154) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
PubChem CID19507154
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccnn2COc2ccccc2Cl)n1
InChIInChI=1S/C19H22ClN5O2/c1-14-12-15(2)24(23-14)11-5-9-21-19(26)17-8-10-22-25(17)13-27-18-7-4-3-6-16(18)20/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H,21,26)
InChIKeyCHHBUPUXDXMPJS-UHFFFAOYSA-N
XLogP3.21
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19507070
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536102
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
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]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78816299
2-[(2-chlorophenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide
CID 19507003
2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507277
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
2-[(2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19507080
2-[(2-chlorophenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19507079

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide (CID 19507154) is 2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ccnn2COc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is CHHBUPUXDXMPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-14-12-15(2)24(23-14)11-5-9-21-19(26)17-8-10-22-25(17)13-27-18-7-4-3-6-16(18)20/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H,21,26).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19507154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).