N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide

C16H22N4O — CID 66121775

IUPACN-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(C(C)N)c2)n(CC)n1
InChIInChI=1S/C16H22N4O/c1-4-13-10-15(20(5-2)19-13)16(21)18-14-8-6-7-12(9-14)11(3)17/h6-11H,4-5,17H2,1-3H3,(H,18,21)
InChIKeyTVJSNNPZQOZFEG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.74
Rot. Bonds5

About N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide

N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66121775) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
PubChem CID66121775
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(C(C)N)c2)n(CC)n1
InChIInChI=1S/C16H22N4O/c1-4-13-10-15(20(5-2)19-13)16(21)18-14-8-6-7-12(9-14)11(3)17/h6-11H,4-5,17H2,1-3H3,(H,18,21)
InChIKeyTVJSNNPZQOZFEG-UHFFFAOYSA-N
XLogP2.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66120978
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120808
N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415
N-[3-(1-aminoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 114022569
N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
3-ethyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 77113197
N-(1-amino-1-sulfanylidenepropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66121975
N-[3-(1-aminoethyl)phenyl]pyridine-2-carboxamide
CID 16785087
2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121377
N-(3-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119749
1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 71935421

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide (CID 66121775) is N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2cccc(C(C)N)c2)n(CC)n1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is TVJSNNPZQOZFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-13-10-15(20(5-2)19-13)16(21)18-14-8-6-7-12(9-14)11(3)17/h6-11H,4-5,17H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide?
N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66121775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).