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

C11H19ClN4O — CID 19263350

IUPAC4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCCCN(C)C)n1
InChIInChI=1S/C11H19ClN4O/c1-4-16-8-9(12)10(14-16)11(17)13-6-5-7-15(2)3/h8H,4-7H2,1-3H3,(H,13,17)
InChIKeyNLVJYMWKVZQPLZ-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.24
Rot. Bonds6

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

4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19263350) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide
PubChem CID19263350
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCCCN(C)C)n1
InChIInChI=1S/C11H19ClN4O/c1-4-16-8-9(12)10(14-16)11(17)13-6-5-7-15(2)3/h8H,4-7H2,1-3H3,(H,13,17)
InChIKeyNLVJYMWKVZQPLZ-UHFFFAOYSA-N
XLogP1.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.24
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-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide (CID 19263350) is 4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NCCCN(C)C)n1.
What is the InChIKey of 4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is NLVJYMWKVZQPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-4-16-8-9(12)10(14-16)11(17)13-6-5-7-15(2)3/h8H,4-7H2,1-3H3,(H,13,17).
What are the key properties of 4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide?
4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 258.75 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19263350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).