2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide

C19H20ClN3O3 — CID 71797324

IUPAC2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide
SMILESCn1nc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1-c1ccco1
InChIInChI=1S/C19H20ClN3O3/c1-19(2,26-15-8-6-13(20)7-9-15)18(24)21-12-14-11-16(23(3)22-14)17-5-4-10-25-17/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyGXKWGOSUWRYIEJ-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.81
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide (PubChem CID 71797324) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide
PubChem CID71797324
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide
SMILESCn1nc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1-c1ccco1
InChIInChI=1S/C19H20ClN3O3/c1-19(2,26-15-8-6-13(20)7-9-15)18(24)21-12-14-11-16(23(3)22-14)17-5-4-10-25-17/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyGXKWGOSUWRYIEJ-UHFFFAOYSA-N
XLogP3.81
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2-methylpropanamide
CID 91630450
3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
CID 71797298
2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 171673968
2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide
CID 166280535
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
(E)-3-(2-chlorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide
CID 71797314
2-(4-chlorophenoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropanamide
CID 8917158
2-[4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698374
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]pyridine-3-carboxamide
CID 71797285
2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
CID 71797311
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71797295
2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 60595407

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide (CID 71797324) is 2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide is Cn1nc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1-c1ccco1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide?
The InChIKey is GXKWGOSUWRYIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-19(2,26-15-8-6-13(20)7-9-15)18(24)21-12-14-11-16(23(3)22-14)17-5-4-10-25-17/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide has a molecular weight of 373.84 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 71797324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).