1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide

C15H17ClN4O3 — CID 4774610

IUPAC1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESO=C(NN1CCOCC1)c1ccn(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O3/c16-12-1-3-13(4-2-12)23-11-20-6-5-14(17-20)15(21)18-19-7-9-22-10-8-19/h1-6H,7-11H2,(H,18,21)
InChIKeyZHSMXNFXMIICNQ-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.55
Rot. Bonds5

About 1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide

1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide (PubChem CID 4774610) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide
PubChem CID4774610
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESO=C(NN1CCOCC1)c1ccn(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O3/c16-12-1-3-13(4-2-12)23-11-20-6-5-14(17-20)15(21)18-19-7-9-22-10-8-19/h1-6H,7-11H2,(H,18,21)
InChIKeyZHSMXNFXMIICNQ-UHFFFAOYSA-N
XLogP1.55
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-morpholin-4-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 4867226
1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
CID 17021150
1-ethyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4771617
1-[(4-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4774524
1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19280166
dimethyl 5-[[1-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19280144
N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273397
1-[(4-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4774579
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19268693
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280381
N-(2,6-dichlorophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269237
[1-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19473181

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide (CID 4774610) is 1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide is O=C(NN1CCOCC1)c1ccn(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide?
The InChIKey is ZHSMXNFXMIICNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c16-12-1-3-13(4-2-12)23-11-20-6-5-14(17-20)15(21)18-19-7-9-22-10-8-19/h1-6H,7-11H2,(H,18,21).
What are the key properties of 1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide?
1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 4774610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).