4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide

C13H23ClN4O — CID 19266940

IUPAC4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(C)c(C)c1Cl
InChIInChI=1S/C13H23ClN4O/c1-5-18(6-2)9-7-8-15-13(19)12-11(14)10(3)17(4)16-12/h5-9H2,1-4H3,(H,15,19)
InChIKeyQCGKJKSDCIDOHN-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.84
Rot. Bonds7

About 4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide

4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266940) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266940
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(C)c(C)c1Cl
InChIInChI=1S/C13H23ClN4O/c1-5-18(6-2)9-7-8-15-13(19)12-11(14)10(3)17(4)16-12/h5-9H2,1-4H3,(H,15,19)
InChIKeyQCGKJKSDCIDOHN-UHFFFAOYSA-N
XLogP1.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide (CID 19266940) is 4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide is CCN(CC)CCCNC(=O)c1nn(C)c(C)c1Cl.
What is the InChIKey of 4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is QCGKJKSDCIDOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-5-18(6-2)9-7-8-15-13(19)12-11(14)10(3)17(4)16-12/h5-9H2,1-4H3,(H,15,19).
What are the key properties of 4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide?
4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 286.81 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).