(3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide

C17H21FN4O — CID 143132084

IUPAC(3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide
SMILESC/C(F)=C\C=C(/C)CC(=O)Nc1cc(C2=CCN(C)C=C2)[nH]n1
InChIInChI=1S/C17H21FN4O/c1-12(4-5-13(2)18)10-17(23)19-16-11-15(20-21-16)14-6-8-22(3)9-7-14/h4-8,11H,9-10H2,1-3H3,(H2,19,20,21,23)/b12-4+,13-5+
InChIKeyOHAZUOAJQVRQER-QGVJZHQLSA-N
MW316.38 g/mol
LogP3.40
Rot. Bonds5

About (3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide

(3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide (PubChem CID 143132084) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide.

Molecular Properties

Compound Name(3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide
PubChem CID143132084
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide
SMILESC/C(F)=C\C=C(/C)CC(=O)Nc1cc(C2=CCN(C)C=C2)[nH]n1
InChIInChI=1S/C17H21FN4O/c1-12(4-5-13(2)18)10-17(23)19-16-11-15(20-21-16)14-6-8-22(3)9-7-14/h4-8,11H,9-10H2,1-3H3,(H2,19,20,21,23)/b12-4+,13-5+
InChIKeyOHAZUOAJQVRQER-QGVJZHQLSA-N
XLogP3.40
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59174010
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 24997749
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
CID 71459241
2-(N-ethylanilino)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 53566344
5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide
CID 24998041
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
CID 44621024
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
CID 44621195
N-[5-(1-difluoromethyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-yl-butyramide
CID 44621228
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide
CID 45107277
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
CID 45107304
N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide
CID 59173774
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173796

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide?
The IUPAC name of (3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide (CID 143132084) is (3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide.
What is the SMILES notation for (3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide?
The canonical SMILES for (3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide is C/C(F)=C\C=C(/C)CC(=O)Nc1cc(C2=CCN(C)C=C2)[nH]n1.
What is the InChIKey of (3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide?
The InChIKey is OHAZUOAJQVRQER-QGVJZHQLSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12(4-5-13(2)18)10-17(23)19-16-11-15(20-21-16)14-6-8-22(3)9-7-14/h4-8,11H,9-10H2,1-3H3,(H2,19,20,21,23)/b12-4+,13-5+.
What are the key properties of (3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide?
(3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide has a molecular weight of 316.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide is sourced from PubChem (CID 143132084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).