2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide

C19H18ClN3O3 — CID 19507055

IUPAC2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnn2COc2ccccc2Cl)cc1
InChIInChI=1S/C19H18ClN3O3/c1-2-25-15-9-7-14(8-10-15)22-19(24)17-11-12-21-23(17)13-26-18-6-4-3-5-16(18)20/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyUBKMDVDWMIWIIJ-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.22
Rot. Bonds7

About 2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide

2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide (PubChem CID 19507055) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide
PubChem CID19507055
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnn2COc2ccccc2Cl)cc1
InChIInChI=1S/C19H18ClN3O3/c1-2-25-15-9-7-14(8-10-15)22-19(24)17-11-12-21-23(17)13-26-18-6-4-3-5-16(18)20/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyUBKMDVDWMIWIIJ-UHFFFAOYSA-N
XLogP4.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide
CID 19507003
2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507277
2-[(2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19507080
N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507012
2-[(2-chlorophenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19507079
2-[(2-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 19507133
2-[(2-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19507182
2-[(2-chlorophenoxy)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide
CID 19507015
2-[(4-chlorophenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19507397
ethyl 4-[2-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 19479138
2-[(2-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19507288
2-[(2-chlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 4776383

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide (CID 19507055) is 2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide is CCOc1ccc(NC(=O)c2ccnn2COc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is UBKMDVDWMIWIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-2-25-15-9-7-14(8-10-15)22-19(24)17-11-12-21-23(17)13-26-18-6-4-3-5-16(18)20/h3-12H,2,13H2,1H3,(H,22,24).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide?
2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19507055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).