N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide

C18H24N4O2 — CID 74236543

IUPACN-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CCC(N)=O)CCc2ccccc2)c1C
InChIInChI=1S/C18H24N4O2/c1-3-15-13(2)17(21-20-15)18(24)22(12-10-16(19)23)11-9-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyAXWYAYAAZUEXNS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.84
Rot. Bonds8

About N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide

N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 74236543) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
PubChem CID74236543
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CCC(N)=O)CCc2ccccc2)c1C
InChIInChI=1S/C18H24N4O2/c1-3-15-13(2)17(21-20-15)18(24)22(12-10-16(19)23)11-9-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyAXWYAYAAZUEXNS-UHFFFAOYSA-N
XLogP1.84
TPSA92.08 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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide
CID 74236598
N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide
CID 54790194
4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076132
N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 54789701
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide
CID 111122221
N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide
CID 54789581
N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide
CID 54789845
N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide
CID 54789789
N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide
CID 54789698
3-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 54790002
4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 110852276

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide (CID 74236543) is N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(CCC(N)=O)CCc2ccccc2)c1C.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is AXWYAYAAZUEXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-15-13(2)17(21-20-15)18(24)22(12-10-16(19)23)11-9-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H2,19,23)(H,20,21).
What are the key properties of N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 74236543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).