1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide

C14H16ClN3O2 — CID 30838865

IUPAC1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
SMILESCONC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C
InChIInChI=1S/C14H16ClN3O2/c1-9(2)13-12(14(19)17-20-3)8-16-18(13)11-6-4-5-10(15)7-11/h4-9H,1-3H3,(H,17,19)
InChIKeyLTQWOGMASYUQOA-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.94
Rot. Bonds4

About 1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 30838865) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID30838865
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
SMILESCONC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C
InChIInChI=1S/C14H16ClN3O2/c1-9(2)13-12(14(19)17-20-3)8-16-18(13)11-6-4-5-10(15)7-11/h4-9H,1-3H3,(H,17,19)
InChIKeyLTQWOGMASYUQOA-UHFFFAOYSA-N
XLogP2.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 37438164
1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52570608
1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 43058699
1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 30889196
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
1-(3-chlorophenyl)-N-(oxan-2-yloxy)-5-propan-2-ylpyrazole-4-carboxamide
CID 60612611
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31862135
1-(3-chlorophenyl)-5-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78851760
1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55576681
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112816075

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide (CID 30838865) is 1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide is CONC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C.
What is the InChIKey of 1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is LTQWOGMASYUQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9(2)13-12(14(19)17-20-3)8-16-18(13)11-6-4-5-10(15)7-11/h4-9H,1-3H3,(H,17,19).
What are the key properties of 1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 30838865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).