1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide

C17H14Cl2N4O2 — CID 19581774

IUPAC1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccnc(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)c1
InChIInChI=1S/C17H14Cl2N4O2/c1-11-5-7-20-15(9-11)21-17(24)14-6-8-23(22-14)10-25-16-12(18)3-2-4-13(16)19/h2-9H,10H2,1H3,(H,20,21,24)
InChIKeyNXMAVXCVROHSKG-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.18
Rot. Bonds5

About 1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide

1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 19581774) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID19581774
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC Name1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccnc(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)c1
InChIInChI=1S/C17H14Cl2N4O2/c1-11-5-7-20-15(9-11)21-17(24)14-6-8-23(22-14)10-25-16-12(18)3-2-4-13(16)19/h2-9H,10H2,1H3,(H,20,21,24)
InChIKeyNXMAVXCVROHSKG-UHFFFAOYSA-N
XLogP4.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 19581793
1-[(2,6-dichlorophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 19269839
1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 17021915
1-[(2,6-dichlorophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19393542
1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19346663
1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19269884
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-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide
CID 35529448
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747825
N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4867173
N-(3-chloro-2-methylphenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776810

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 19581774) is 1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide is Cc1ccnc(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)c1.
What is the InChIKey of 1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is NXMAVXCVROHSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-11-5-7-20-15(9-11)21-17(24)14-6-8-23(22-14)10-25-16-12(18)3-2-4-13(16)19/h2-9H,10H2,1H3,(H,20,21,24).
What are the key properties of 1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide?
1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19581774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).