5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide

C15H19FN6O — CID 121410211

IUPAC5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(N3CCC(F)CC3)cc2)n[nH]c1N
InChIInChI=1S/C15H19FN6O/c16-9-5-7-22(8-6-9)11-3-1-10(2-4-11)19-15-12(14(18)23)13(17)20-21-15/h1-4,9H,5-8H2,(H2,18,23)(H4,17,19,20,21)
InChIKeyAXOCBFCYZZUDBD-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.77
Rot. Bonds4

About 5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide

5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide (PubChem CID 121410211) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is 5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
PubChem CID121410211
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(N3CCC(F)CC3)cc2)n[nH]c1N
InChIInChI=1S/C15H19FN6O/c16-9-5-7-22(8-6-9)11-3-1-10(2-4-11)19-15-12(14(18)23)13(17)20-21-15/h1-4,9H,5-8H2,(H2,18,23)(H4,17,19,20,21)
InChIKeyAXOCBFCYZZUDBD-UHFFFAOYSA-N
XLogP1.77
TPSA113.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3-Phenylazanyl-1,4,6,7-Tetrahydropyrazolo[4,3-C]pyridin-5-Yl)ethanone
CID 95828281
1-[3-(3-Fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 134132771
1-[3-(4-Fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 134147360
1-[3-(2-Fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 134151910
5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide
CID 46948874
4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-fluorophenyl)amino)-
CID 3072252
4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((3-fluorophenyl)amino)-
CID 3072253
5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 25146791
5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 25146881
5-anilino-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7H-pyrazolo[5,4-d]triazin-4-one
CID 135954825
5-Anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one
CID 171350945
5-amino-N-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-1h-pyrazole-4-carboxamide
CID 164608611

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide (CID 121410211) is 5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide is NC(=O)c1c(Nc2ccc(N3CCC(F)CC3)cc2)n[nH]c1N.
What is the InChIKey of 5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The InChIKey is AXOCBFCYZZUDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c16-9-5-7-22(8-6-9)11-3-1-10(2-4-11)19-15-12(14(18)23)13(17)20-21-15/h1-4,9H,5-8H2,(H2,18,23)(H4,17,19,20,21).
What are the key properties of 5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 121410211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).