N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide

C18H19N5O — CID 119074513

IUPACN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1cnccc1NCCNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H19N5O/c1-14-11-19-8-7-17(14)20-9-10-21-18(24)15-12-22-23(13-15)16-5-3-2-4-6-16/h2-8,11-13H,9-10H2,1H3,(H,19,20)(H,21,24)
InChIKeyLWRLVEYVVDNRAQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.42
Rot. Bonds6

About N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide

N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 119074513) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID119074513
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1cnccc1NCCNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H19N5O/c1-14-11-19-8-7-17(14)20-9-10-21-18(24)15-12-22-23(13-15)16-5-3-2-4-6-16/h2-8,11-13H,9-10H2,1H3,(H,19,20)(H,21,24)
InChIKeyLWRLVEYVVDNRAQ-UHFFFAOYSA-N
XLogP2.42
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide
CID 131933198
1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide
CID 98783333
5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
CID 131912295
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
CID 131906584
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
2-(1,3-dihydroisoindol-2-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131922886
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide
CID 115737771
N-(3-amino-3-hydroxyiminopropyl)-1-phenylpyrazole-4-carboxamide
CID 76948217
(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide
CID 126451165

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide (CID 119074513) is N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide is Cc1cnccc1NCCNC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is LWRLVEYVVDNRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-14-11-19-8-7-17(14)20-9-10-21-18(24)15-12-22-23(13-15)16-5-3-2-4-6-16/h2-8,11-13H,9-10H2,1H3,(H,19,20)(H,21,24).
What are the key properties of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide?
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 119074513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).