4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide

C14H14N4O — CID 145143409

IUPAC4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide
SMILESC#Cc1cccc(-n2cc(NCC)c(C(N)=O)n2)c1
InChIInChI=1S/C14H14N4O/c1-3-10-6-5-7-11(8-10)18-9-12(16-4-2)13(17-18)14(15)19/h1,5-9,16H,4H2,2H3,(H2,15,19)
InChIKeyARKCDEYEIJKELE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.38
Rot. Bonds4

About 4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide

4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide (PubChem CID 145143409) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide
PubChem CID145143409
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide
SMILESC#Cc1cccc(-n2cc(NCC)c(C(N)=O)n2)c1
InChIInChI=1S/C14H14N4O/c1-3-10-6-5-7-11(8-10)18-9-12(16-4-2)13(17-18)14(15)19/h1,5-9,16H,4H2,2H3,(H2,15,19)
InChIKeyARKCDEYEIJKELE-UHFFFAOYSA-N
XLogP1.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethynylphenyl)-4-[(1-methylpyrazol-3-yl)amino]pyrazole-3-carboxamide
CID 145143211
4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 145143357
4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143114
acetylene;1-(3-ethynylphenyl)-4-(methylamino)pyrazole-3-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143188
1-(3-ethynylphenyl)-4-[(1-methylpyrazol-3-yl)amino]pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 145143303
acetylene;4-amino-1-(3-ethynylphenyl)pyrazole-3-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143343
1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide
CID 11313329
(6R)-5-(1,1-difluoroethyl)-1-(3-ethynylphenyl)-6-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 144793496
1-(3-ethynylphenyl)-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide
CID 123403814
4-(dimethylcarbamoylamino)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazole-3-carboxamide
CID 122508707
4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane
CID 143035629
1-(3-ethynylphenyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide
CID 144793261

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide (CID 145143409) is 4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide is C#Cc1cccc(-n2cc(NCC)c(C(N)=O)n2)c1.
What is the InChIKey of 4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide?
The InChIKey is ARKCDEYEIJKELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-10-6-5-7-11(8-10)18-9-12(16-4-2)13(17-18)14(15)19/h1,5-9,16H,4H2,2H3,(H2,15,19).
What are the key properties of 4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide?
4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 145143409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).