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

C12H23N5O — CID 65358786

IUPAC4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nn(CC)cc1N
InChIInChI=1S/C12H23N5O/c1-4-16(5-2)8-7-14-12(18)11-10(13)9-17(6-3)15-11/h9H,4-8,13H2,1-3H3,(H,14,18)
InChIKeyVXAKKGZDNHWCHM-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.56
Rot. Bonds7

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

4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 65358786) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
PubChem CID65358786
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nn(CC)cc1N
InChIInChI=1S/C12H23N5O/c1-4-16(5-2)8-7-14-12(18)11-10(13)9-17(6-3)15-11/h9H,4-8,13H2,1-3H3,(H,14,18)
InChIKeyVXAKKGZDNHWCHM-UHFFFAOYSA-N
XLogP0.56
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 65357738
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1-ethyl-N-[2-(ethylsulfamoyl)ethyl]pyrazole-3-carboxamide
CID 106332871
4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65363321
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
CID 114615025
4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide
CID 106308600
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
CID 19620451
4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
CID 106899160
4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 65362863
4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide
CID 65358162

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide (CID 65358786) is 4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide is CCN(CC)CCNC(=O)c1nn(CC)cc1N.
What is the InChIKey of 4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is VXAKKGZDNHWCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-16(5-2)8-7-14-12(18)11-10(13)9-17(6-3)15-11/h9H,4-8,13H2,1-3H3,(H,14,18).
What are the key properties of 4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide?
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 65358786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).