N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

C17H24N4O — CID 72906428

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCc2ccc(N(C)C)cc2)c1C
InChIInChI=1S/C17H24N4O/c1-5-15-12(2)16(20-19-15)17(22)18-11-10-13-6-8-14(9-7-13)21(3)4/h6-9H,5,10-11H2,1-4H3,(H,18,22)(H,19,20)
InChIKeyJKYOGQHWCXEMKJ-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.32
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 72906428) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID72906428
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCc2ccc(N(C)C)cc2)c1C
InChIInChI=1S/C17H24N4O/c1-5-15-12(2)16(20-19-15)17(22)18-11-10-13-6-8-14(9-7-13)21(3)4/h6-9H,5,10-11H2,1-4H3,(H,18,22)(H,19,20)
InChIKeyJKYOGQHWCXEMKJ-UHFFFAOYSA-N
XLogP2.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (CID 72906428) is N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCc2ccc(N(C)C)cc2)c1C.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is JKYOGQHWCXEMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-15-12(2)16(20-19-15)17(22)18-11-10-13-6-8-14(9-7-13)21(3)4/h6-9H,5,10-11H2,1-4H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 72906428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).