1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide

C20H29ClN4O — CID 55676094

IUPAC1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C
InChIInChI=1S/C20H29ClN4O/c1-6-24(7-2)15(5)12-22-20(26)18-13-23-25(19(18)14(3)4)17-10-8-16(21)9-11-17/h8-11,13-15H,6-7,12H2,1-5H3,(H,22,26)
InChIKeyWUYKWZSBZDEOFS-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.11
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55676094) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55676094
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C
InChIInChI=1S/C20H29ClN4O/c1-6-24(7-2)15(5)12-22-20(26)18-13-23-25(19(18)14(3)4)17-10-8-16(21)9-11-17/h8-11,13-15H,6-7,12H2,1-5H3,(H,22,26)
InChIKeyWUYKWZSBZDEOFS-UHFFFAOYSA-N
XLogP4.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 55676094) is 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide is CCN(CC)C(C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is WUYKWZSBZDEOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O/c1-6-24(7-2)15(5)12-22-20(26)18-13-23-25(19(18)14(3)4)17-10-8-16(21)9-11-17/h8-11,13-15H,6-7,12H2,1-5H3,(H,22,26).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55676094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).