fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene

C19H24FN5O3 — CID 142995000

IUPACfluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene
SMILESC=C/C(=C\C)NC(=O)c1[nH]ncc1NC(=O)c1ccc(=O)[nH]c1.C=CC.CF
InChIInChI=1S/C15H15N5O3.C3H6.CH3F/c1-3-10(4-2)18-15(23)13-11(8-17-20-13)19-14(22)9-5-6-12(21)16-7-9;1-3-2;1-2/h3-8H,1H2,2H3,(H,16,21)(H,17,20)(H,18,23)(H,19,22);3H,1H2,2H3;1H3/b10-4+;;
InChIKeyMUFMLJSANZYYRE-JPRUNYMKSA-N
MW389.43 g/mol
LogP2.95
Rot. Bonds5

About fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene

fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene (PubChem CID 142995000) has the molecular formula C19H24FN5O3 and a molecular weight of 389.43 g/mol. Its IUPAC name is fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene.

Molecular Properties

Compound Namefluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene
PubChem CID142995000
Molecular FormulaC19H24FN5O3
Molecular Weight389.43 g/mol
Exact Mass389.19
IUPAC Namefluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene
SMILESC=C/C(=C\C)NC(=O)c1[nH]ncc1NC(=O)c1ccc(=O)[nH]c1.C=CC.CF
InChIInChI=1S/C15H15N5O3.C3H6.CH3F/c1-3-10(4-2)18-15(23)13-11(8-17-20-13)19-14(22)9-5-6-12(21)16-7-9;1-3-2;1-2/h3-8H,1H2,2H3,(H,16,21)(H,17,20)(H,18,23)(H,19,22);3H,1H2,2H3;1H3/b10-4+;;
InChIKeyMUFMLJSANZYYRE-JPRUNYMKSA-N
XLogP2.95
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 59733359
4-[(4-fluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-[1-(4-methylpentan-2-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 70308871
N-cyclohexyl-4-[[(2E)-2-[(E)-2-fluoroprop-1-enyl]-4-(4-methylpiperazin-1-yl)penta-2,4-dienoyl]amino]-1H-pyrazole-5-carboxamide
CID 88997186
N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridazine-4-carboxamide
CID 140089346
N-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-4-(1-hydroxypropan-2-ylamino)-1H-pyrazole-5-carboxamide
CID 142994999
N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-5-carboxamide
CID 142995096
4-(cyclohexylamino)-N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1H-pyrazole-5-carboxamide
CID 142995110
N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide
CID 142995117
4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 143263402
N-(4-fluorophenyl)-4-[[(E,4Z)-2-methyl-4-(6-methylidene-1,2-dihydropyridin-5-ylidene)but-2-enoyl]amino]-1H-pyrazole-5-carboxamide
CID 143263448
4-[[(3E,5Z)-3,7-difluoro-2-methylocta-3,5-dienoyl]amino]-N-(4-thiomorpholin-4-ylcycloheptyl)-1H-pyrazole-5-carboxamide
CID 143263541
N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide
CID 143263764

Frequently Asked Questions

What is the IUPAC name of fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene?
The IUPAC name of fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene (CID 142995000) is fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene.
What is the SMILES notation for fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene?
The canonical SMILES for fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene is C=C/C(=C\C)NC(=O)c1[nH]ncc1NC(=O)c1ccc(=O)[nH]c1.C=CC.CF.
What is the InChIKey of fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene?
The InChIKey is MUFMLJSANZYYRE-JPRUNYMKSA-N. The full InChI is InChI=1S/C15H15N5O3.C3H6.CH3F/c1-3-10(4-2)18-15(23)13-11(8-17-20-13)19-14(22)9-5-6-12(21)16-7-9;1-3-2;1-2/h3-8H,1H2,2H3,(H,16,21)(H,17,20)(H,18,23)(H,19,22);3H,1H2,2H3;1H3/b10-4+;;.
What are the key properties of fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene?
fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene has a molecular weight of 389.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;6-oxo-N-[5-[[(3E)-penta-1,3-dien-3-yl]carbamoyl]-1H-pyrazol-4-yl]-1H-pyridine-3-carboxamide;prop-1-ene is sourced from PubChem (CID 142995000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).