4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide

C13H23ClN4O — CID 19263508

IUPAC4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(CC)cc1Cl
InChIInChI=1S/C13H23ClN4O/c1-4-17(5-2)9-7-8-15-13(19)12-11(14)10-18(6-3)16-12/h10H,4-9H2,1-3H3,(H,15,19)
InChIKeyAAMJALQOCJFXDZ-UHFFFAOYSA-N
MW286.81 g/mol
LogP2.02
Rot. Bonds8

About 4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide

4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19263508) 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-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide
PubChem CID19263508
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(CC)cc1Cl
InChIInChI=1S/C13H23ClN4O/c1-4-17(5-2)9-7-8-15-13(19)12-11(14)10-18(6-3)16-12/h10H,4-9H2,1-3H3,(H,15,19)
InChIKeyAAMJALQOCJFXDZ-UHFFFAOYSA-N
XLogP2.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 52.02
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-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide (CID 19263508) is 4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide is CCN(CC)CCCNC(=O)c1nn(CC)cc1Cl.
What is the InChIKey of 4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is AAMJALQOCJFXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-4-17(5-2)9-7-8-15-13(19)12-11(14)10-18(6-3)16-12/h10H,4-9H2,1-3H3,(H,15,19).
What are the key properties of 4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide?
4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 286.81 g/mol, XLogP of 2.02, 8 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-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19263508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).