N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C17H24N4O — CID 20861285

IUPACN-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(C)nn1-c1ccccc1
InChIInChI=1S/C17H24N4O/c1-4-20(5-2)12-11-18-17(22)16-13-14(3)19-21(16)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,18,22)
InChIKeyYXFVFYKYSMUJNC-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 20861285) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID20861285
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(C)nn1-c1ccccc1
InChIInChI=1S/C17H24N4O/c1-4-20(5-2)12-11-18-17(22)16-13-14(3)19-21(16)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,18,22)
InChIKeyYXFVFYKYSMUJNC-UHFFFAOYSA-N
XLogP2.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861310
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685957
N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685975
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882
N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
CID 91641257
N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555
N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685989
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 20861285) is N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide is CCN(CC)CCNC(=O)c1cc(C)nn1-c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is YXFVFYKYSMUJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-20(5-2)12-11-18-17(22)16-13-14(3)19-21(16)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 20861285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).