N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C23H24N4O2 — CID 55954809

IUPACN-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Cn1cccn1)Nc1cccc(CNC(=O)C2CCCc3ccccc32)c1
InChIInChI=1S/C23H24N4O2/c28-22(16-27-13-5-12-25-27)26-19-9-3-6-17(14-19)15-24-23(29)21-11-4-8-18-7-1-2-10-20(18)21/h1-3,5-7,9-10,12-14,21H,4,8,11,15-16H2,(H,24,29)(H,26,28)
InChIKeyPTBNBEYJISXAIX-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.26
Rot. Bonds6

About N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 55954809) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID55954809
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Cn1cccn1)Nc1cccc(CNC(=O)C2CCCc3ccccc32)c1
InChIInChI=1S/C23H24N4O2/c28-22(16-27-13-5-12-25-27)26-19-9-3-6-17(14-19)15-24-23(29)21-11-4-8-18-7-1-2-10-20(18)21/h1-3,5-7,9-10,12-14,21H,4,8,11,15-16H2,(H,24,29)(H,26,28)
InChIKeyPTBNBEYJISXAIX-UHFFFAOYSA-N
XLogP3.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 96537932
1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55979110
N-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61150664
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]azocane-1-carboxamide
CID 87037167
2-chloro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]cyclohexene-1-carboxamide
CID 71886224
1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55978346
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
N-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 110955024
1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 55954540
N-[3-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 87037168
2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 55953413
N-[3-[[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide;hydroiodide
CID 111077114

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 55954809) is N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(Cn1cccn1)Nc1cccc(CNC(=O)C2CCCc3ccccc32)c1.
What is the InChIKey of N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is PTBNBEYJISXAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(16-27-13-5-12-25-27)26-19-9-3-6-17(14-19)15-24-23(29)21-11-4-8-18-7-1-2-10-20(18)21/h1-3,5-7,9-10,12-14,21H,4,8,11,15-16H2,(H,24,29)(H,26,28).
What are the key properties of N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 55954809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).