4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide

C12H21ClN4O — CID 19263507

IUPAC4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nn(CC)cc1Cl
InChIInChI=1S/C12H21ClN4O/c1-4-16(5-2)8-7-14-12(18)11-10(13)9-17(6-3)15-11/h9H,4-8H2,1-3H3,(H,14,18)
InChIKeyAOLFRNUMYNIYOE-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.63
Rot. Bonds7

About 4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide

4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19263507) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
PubChem CID19263507
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nn(CC)cc1Cl
InChIInChI=1S/C12H21ClN4O/c1-4-16(5-2)8-7-14-12(18)11-10(13)9-17(6-3)15-11/h9H,4-8H2,1-3H3,(H,14,18)
InChIKeyAOLFRNUMYNIYOE-UHFFFAOYSA-N
XLogP1.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide (CID 19263507) is 4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide is CCN(CC)CCNC(=O)c1nn(CC)cc1Cl.
What is the InChIKey of 4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is AOLFRNUMYNIYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-4-16(5-2)8-7-14-12(18)11-10(13)9-17(6-3)15-11/h9H,4-8H2,1-3H3,(H,14,18).
What are the key properties of 4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide?
4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 272.78 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19263507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).