1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide

C16H20ClN3O2 — CID 19277716

IUPAC1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCc1cc(Cl)ccc1OCn1ccc(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H20ClN3O2/c1-11(2)9-18-16(21)14-6-7-20(19-14)10-22-15-5-4-13(17)8-12(15)3/h4-8,11H,9-10H2,1-3H3,(H,18,21)
InChIKeyHRCQKGZQYLWUCU-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.27
Rot. Bonds6

About 1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide

1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19277716) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19277716
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCc1cc(Cl)ccc1OCn1ccc(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H20ClN3O2/c1-11(2)9-18-16(21)14-6-7-20(19-14)10-22-15-5-4-13(17)8-12(15)3/h4-8,11H,9-10H2,1-3H3,(H,18,21)
InChIKeyHRCQKGZQYLWUCU-UHFFFAOYSA-N
XLogP3.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19275009
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 4862750
N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277666
1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19277749
N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19277888
1-[(3,5-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19276180
N-[1-(4-butan-2-ylphenyl)propyl]-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277743
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19277689
N-(1-adamantyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277654
1-[(4-chloro-2-methylphenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19277678
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277832
1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19277824

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19277716) is 1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide is Cc1cc(Cl)ccc1OCn1ccc(C(=O)NCC(C)C)n1.
What is the InChIKey of 1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is HRCQKGZQYLWUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11(2)9-18-16(21)14-6-7-20(19-14)10-22-15-5-4-13(17)8-12(15)3/h4-8,11H,9-10H2,1-3H3,(H,18,21).
What are the key properties of 1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide?
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19277716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).