1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide

C16H20ClN3O2 — CID 111596778

IUPAC1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C16H20ClN3O2/c1-4-19(11-16(2,3)22)15(21)12-9-18-20(10-12)14-8-6-5-7-13(14)17/h5-10,22H,4,11H2,1-3H3
InChIKeyJRMJBWNJFRSPLV-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.76
Rot. Bonds5

About 1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide

1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 111596778) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide
PubChem CID111596778
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C16H20ClN3O2/c1-4-19(11-16(2,3)22)15(21)12-9-18-20(10-12)14-8-6-5-7-13(14)17/h5-10,22H,4,11H2,1-3H3
InChIKeyJRMJBWNJFRSPLV-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 49193203
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide
CID 49160152
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867
N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide
CID 111596653
N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 61348348
ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
CID 78901864
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide
CID 82188855
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 49162463
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid
CID 120519872
N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 115771673

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide (CID 111596778) is 1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide is CCN(CC(C)(C)O)C(=O)c1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is JRMJBWNJFRSPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-4-19(11-16(2,3)22)15(21)12-9-18-20(10-12)14-8-6-5-7-13(14)17/h5-10,22H,4,11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 111596778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).