1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

C19H22ClN5O2 — CID 19278762

IUPAC1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)N(C)Cc3ccnn3C)n2)cc(C)c1Cl
InChIInChI=1S/C19H22ClN5O2/c1-13-9-16(10-14(2)18(13)20)27-12-25-8-6-17(22-25)19(26)23(3)11-15-5-7-21-24(15)4/h5-10H,11-12H2,1-4H3
InChIKeyXXGLJUQUSKTKRK-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.20
Rot. Bonds6

About 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19278762) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID19278762
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)N(C)Cc3ccnn3C)n2)cc(C)c1Cl
InChIInChI=1S/C19H22ClN5O2/c1-13-9-16(10-14(2)18(13)20)27-12-25-8-6-17(22-25)19(26)23(3)11-15-5-7-21-24(15)4/h5-10H,11-12H2,1-4H3
InChIKeyXXGLJUQUSKTKRK-UHFFFAOYSA-N
XLogP3.20
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278825
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19278434
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19278304
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 4862750
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278680
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(diethylamino)ethyl]pyrazole-3-carboxamide
CID 19275493
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19275315
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19581523
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278482
N-[(2-methylpyrazol-3-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271134
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19279042
1-[(3,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278822

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (CID 19278762) is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is Cc1cc(OCn2ccc(C(=O)N(C)Cc3ccnn3C)n2)cc(C)c1Cl.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is XXGLJUQUSKTKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-13-9-16(10-14(2)18(13)20)27-12-25-8-6-17(22-25)19(26)23(3)11-15-5-7-21-24(15)4/h5-10H,11-12H2,1-4H3.
What are the key properties of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19278762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).