N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide

C16H22N4O — CID 3367465

IUPACN-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn(CC)c2)cc1
InChIInChI=1S/C16H22N4O/c1-4-19(5-2)15-9-7-14(8-10-15)18-16(21)13-11-17-20(6-3)12-13/h7-12H,4-6H2,1-3H3,(H,18,21)
InChIKeyLDTMSVZVALRAKM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.00
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide

N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 3367465) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide
PubChem CID3367465
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn(CC)c2)cc1
InChIInChI=1S/C16H22N4O/c1-4-19(5-2)15-9-7-14(8-10-15)18-16(21)13-11-17-20(6-3)12-13/h7-12H,4-6H2,1-3H3,(H,18,21)
InChIKeyLDTMSVZVALRAKM-UHFFFAOYSA-N
XLogP3.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide (CID 3367465) is N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnn(CC)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is LDTMSVZVALRAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-19(5-2)15-9-7-14(8-10-15)18-16(21)13-11-17-20(6-3)12-13/h7-12H,4-6H2,1-3H3,(H,18,21).
What are the key properties of N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide?
N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 3367465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).