1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide

C14H14ClN3O2 — CID 19280166

IUPAC1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccn(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O2/c1-2-8-16-14(19)13-7-9-18(17-13)10-20-12-5-3-11(15)4-6-12/h2-7,9H,1,8,10H2,(H,16,19)
InChIKeyZQQXDUIRPMDFTQ-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.49
Rot. Bonds6

About 1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide

1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide (PubChem CID 19280166) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
PubChem CID19280166
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccn(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O2/c1-2-8-16-14(19)13-7-9-18(17-13)10-20-12-5-3-11(15)4-6-12/h2-7,9H,1,8,10H2,(H,16,19)
InChIKeyZQQXDUIRPMDFTQ-UHFFFAOYSA-N
XLogP2.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
CID 17021150
1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide
CID 19270743
1-[(2-chloro-5-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19275546
1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19277357
1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
CID 19262174
1-[(4-chlorophenoxy)methyl]-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19280407
1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4774610
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280381
1-[(2-nitrophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19273956
dimethyl 5-[[1-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19280144
1-[(4-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4774524
1-[(4-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4774579

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide (CID 19280166) is 1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide is C=CCNC(=O)c1ccn(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide?
The InChIKey is ZQQXDUIRPMDFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-2-8-16-14(19)13-7-9-18(17-13)10-20-12-5-3-11(15)4-6-12/h2-7,9H,1,8,10H2,(H,16,19).
What are the key properties of 1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide?
1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide is sourced from PubChem (CID 19280166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).