N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide

C16H22N4O — CID 103824423

IUPACN,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCNC(=O)C(C)(C)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-16(2,15(21)17-3)11-18-9-13-10-19-20-14(13)12-7-5-4-6-8-12/h4-8,10,18H,9,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyIJOLFXZOFFWWHG-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.94
Rot. Bonds6

About N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide

N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 103824423) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID103824423
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCNC(=O)C(C)(C)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-16(2,15(21)17-3)11-18-9-13-10-19-20-14(13)12-7-5-4-6-8-12/h4-8,10,18H,9,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyIJOLFXZOFFWWHG-UHFFFAOYSA-N
XLogP1.94
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 60664694
4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]benzoic acid
CID 99796602
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide
CID 60663784
ethyl 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 64578922
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide
CID 103824411
2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103643047
tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate
CID 114267998
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
2-[[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-ethylbutanoic acid
CID 122128901
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide (CID 103824423) is N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide is CNC(=O)C(C)(C)CNCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is IJOLFXZOFFWWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,15(21)17-3)11-18-9-13-10-19-20-14(13)12-7-5-4-6-8-12/h4-8,10,18H,9,11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide?
N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 103824423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).