2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide

C16H18F2N6O3 — CID 10045319

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(=O)NN)[nH]n1
InChIInChI=1S/C16H18F2N6O3/c1-2-11(15(26)21-13-7-12(23-24-13)16(27)22-19)20-14(25)5-8-3-9(17)6-10(18)4-8/h3-4,6-7,11H,2,5,19H2,1H3,(H,20,25)(H,22,27)(H2,21,23,24,26)
InChIKeyUYLRCTVNYZEJNC-UHFFFAOYSA-N
MW380.36 g/mol
LogP0.37
Rot. Bonds7

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide (PubChem CID 10045319) has the molecular formula C16H18F2N6O3 and a molecular weight of 380.36 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide
PubChem CID10045319
Molecular FormulaC16H18F2N6O3
Molecular Weight380.36 g/mol
Exact Mass380.14
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(=O)NN)[nH]n1
InChIInChI=1S/C16H18F2N6O3/c1-2-11(15(26)21-13-7-12(23-24-13)16(27)22-19)20-14(25)5-8-3-9(17)6-10(18)4-8/h3-4,6-7,11H,2,5,19H2,1H3,(H,20,25)(H,22,27)(H2,21,23,24,26)
InChIKeyUYLRCTVNYZEJNC-UHFFFAOYSA-N
XLogP0.37
TPSA142.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 50.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide (CID 10045319) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide is CCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(=O)NN)[nH]n1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide?
The InChIKey is UYLRCTVNYZEJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O3/c1-2-11(15(26)21-13-7-12(23-24-13)16(27)22-19)20-14(25)5-8-3-9(17)6-10(18)4-8/h3-4,6-7,11H,2,5,19H2,1H3,(H,20,25)(H,22,27)(H2,21,23,24,26).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide has a molecular weight of 380.36 g/mol, XLogP of 0.37, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 10045319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).