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

C17H16ClN3O3 — CID 19277749

IUPAC1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(Cl)ccc1OCn1ccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H16ClN3O3/c1-12-9-13(18)4-5-16(12)24-11-21-7-6-15(20-21)17(22)19-10-14-3-2-8-23-14/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeySKOXKOXWFSKNIY-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.40
Rot. Bonds6

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

1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19277749) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID19277749
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(Cl)ccc1OCn1ccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H16ClN3O3/c1-12-9-13(18)4-5-16(12)24-11-21-7-6-15(20-21)17(22)19-10-14-3-2-8-23-14/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeySKOXKOXWFSKNIY-UHFFFAOYSA-N
XLogP3.40
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19276507
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19277716
N-(furan-2-ylmethyl)-1-methyl-4-[[1-[(2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19277564
N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277666
1-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19269316
N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19277888
4-[[1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19275730
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19277689
1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19277824
N-(1-adamantyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277654
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277832
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 4938456

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (CID 19277749) is 1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is Cc1cc(Cl)ccc1OCn1ccc(C(=O)NCc2ccco2)n1.
What is the InChIKey of 1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is SKOXKOXWFSKNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-12-9-13(18)4-5-16(12)24-11-21-7-6-15(20-21)17(22)19-10-14-3-2-8-23-14/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of 1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-methylphenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19277749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).