N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide

C18H24N4O2 — CID 86840228

IUPACN-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC(=O)N(CC)Cc2ccccc2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-3-8-15-11-16(21-20-15)18(24)19-12-17(23)22(4-2)13-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyZOFGIEQPYMYQNH-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.14
Rot. Bonds8

About N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 86840228) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID86840228
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC(=O)N(CC)Cc2ccccc2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-3-8-15-11-16(21-20-15)18(24)19-12-17(23)22(4-2)13-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyZOFGIEQPYMYQNH-UHFFFAOYSA-N
XLogP2.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 115596365
N-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 78855350
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992909
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97128347
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 111596654
N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
CID 24671907

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 86840228) is N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NCC(=O)N(CC)Cc2ccccc2)n[nH]1.
What is the InChIKey of N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZOFGIEQPYMYQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-8-15-11-16(21-20-15)18(24)19-12-17(23)22(4-2)13-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86840228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).