N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide

C19H28N4O — CID 123757607

IUPACN-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCN(Cc1ccccc1C)C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C19H28N4O/c1-5-22(6-2)11-12-23(14-17-10-8-7-9-15(17)3)19(24)18-13-16(4)20-21-18/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,20,21)
InChIKeyVABHLXINJHSBGE-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.01
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide

N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 123757607) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID123757607
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCN(Cc1ccccc1C)C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C19H28N4O/c1-5-22(6-2)11-12-23(14-17-10-8-7-9-15(17)3)19(24)18-13-16(4)20-21-18/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,20,21)
InChIKeyVABHLXINJHSBGE-UHFFFAOYSA-N
XLogP3.01
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 123757607) is N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide is CCN(CC)CCN(Cc1ccccc1C)C(=O)c1cc(C)[nH]n1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VABHLXINJHSBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-5-22(6-2)11-12-23(14-17-10-8-7-9-15(17)3)19(24)18-13-16(4)20-21-18/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 123757607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).