N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide

C17H19Cl2N3O2 — CID 4867173

IUPACN-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccn(COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H19Cl2N3O2/c18-13-7-4-8-14(19)16(13)24-11-22-10-9-15(21-22)17(23)20-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,20,23)
InChIKeyTULKMTONLNDDOK-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.29
Rot. Bonds5

About N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide

N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4867173) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4867173
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC NameN-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccn(COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H19Cl2N3O2/c18-13-7-4-8-14(19)16(13)24-11-22-10-9-15(21-22)17(23)20-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,20,23)
InChIKeyTULKMTONLNDDOK-UHFFFAOYSA-N
XLogP4.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19269884
1-[(2,6-dichlorophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 19269839
2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623357
1-[(2,6-dichlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 17021920
1-[(2,6-dichlorophenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19269906
1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide
CID 19271346
1-[(2,3-dichlorophenoxy)methyl]-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 45147719
N-cyclohexyl-6-[(2,6-dichlorophenoxy)methyl]pyridine-2-carboxamide
CID 58211063
N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273362
1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide
CID 35529448
1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 19581774
1-[(4-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4774524

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide (CID 4867173) is N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide is O=C(NC1CCCCC1)c1ccn(COc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is TULKMTONLNDDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c18-13-7-4-8-14(19)16(13)24-11-22-10-9-15(21-22)17(23)20-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,20,23).
What are the key properties of N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 368.26 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4867173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).