N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide

C20H30N4O — CID 142559795

IUPACN-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CC)CCN(Cc1ccccc1C(C)C)C(=O)c1ccn[nH]1
InChIInChI=1S/C20H30N4O/c1-5-23(6-2)13-14-24(20(25)19-11-12-21-22-19)15-17-9-7-8-10-18(17)16(3)4/h7-12,16H,5-6,13-15H2,1-4H3,(H,21,22)
InChIKeyZPFIVZVNZSOHGE-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.52
Rot. Bonds9

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

N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 142559795) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID142559795
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CC)CCN(Cc1ccccc1C(C)C)C(=O)c1ccn[nH]1
InChIInChI=1S/C20H30N4O/c1-5-23(6-2)13-14-24(20(25)19-11-12-21-22-19)15-17-9-7-8-10-18(17)16(3)4/h7-12,16H,5-6,13-15H2,1-4H3,(H,21,22)
InChIKeyZPFIVZVNZSOHGE-UHFFFAOYSA-N
XLogP3.52
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 144610924
N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 130313190
N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 123757607
N-ethyl-N-methyl-1H-pyrazole-5-carboxamide
CID 70181889
N-[(3-amino-2-chlorophenyl)methyl]-N-[2-(azepan-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 130313326
N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63225607
N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 118467869
N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide
CID 54194915
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide
CID 76983799
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide
CID 107490956
1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419
N-[(5-amino-2-chlorophenyl)methyl]-N-[2-(azepan-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 142559789

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 142559795) is N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide is CCN(CC)CCN(Cc1ccccc1C(C)C)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZPFIVZVNZSOHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-5-23(6-2)13-14-24(20(25)19-11-12-21-22-19)15-17-9-7-8-10-18(17)16(3)4/h7-12,16H,5-6,13-15H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142559795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).