3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide

C22H25F2N5O3 — CID 10095035

IUPAC3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(NC(=O)C(CC)NC(=O)Cc2cc(F)cc(F)c2)n[nH]1
InChIInChI=1S/C22H25F2N5O3/c1-4-7-29(8-5-2)22(32)18-13-19(28-27-18)26-21(31)17(6-3)25-20(30)11-14-9-15(23)12-16(24)10-14/h4-5,9-10,12-13,17H,1-2,6-8,11H2,3H3,(H,25,30)(H2,26,27,28,31)
InChIKeyZEUZJAYWYSOZQB-UHFFFAOYSA-N
MW445.47 g/mol
LogP2.58
Rot. Bonds11

About 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide

3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide (PubChem CID 10095035) has the molecular formula C22H25F2N5O3 and a molecular weight of 445.47 g/mol. Its IUPAC name is 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide
PubChem CID10095035
Molecular FormulaC22H25F2N5O3
Molecular Weight445.47 g/mol
Exact Mass445.19
IUPAC Name3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(NC(=O)C(CC)NC(=O)Cc2cc(F)cc(F)c2)n[nH]1
InChIInChI=1S/C22H25F2N5O3/c1-4-7-29(8-5-2)22(32)18-13-19(28-27-18)26-21(31)17(6-3)25-20(30)11-14-9-15(23)12-16(24)10-14/h4-5,9-10,12-13,17H,1-2,6-8,11H2,3H3,(H,25,30)(H2,26,27,28,31)
InChIKeyZEUZJAYWYSOZQB-UHFFFAOYSA-N
XLogP2.58
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide 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 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide (CID 10095035) is 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide is C=CCN(CC=C)C(=O)c1cc(NC(=O)C(CC)NC(=O)Cc2cc(F)cc(F)c2)n[nH]1.
What is the InChIKey of 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZEUZJAYWYSOZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O3/c1-4-7-29(8-5-2)22(32)18-13-19(28-27-18)26-21(31)17(6-3)25-20(30)11-14-9-15(23)12-16(24)10-14/h4-5,9-10,12-13,17H,1-2,6-8,11H2,3H3,(H,25,30)(H2,26,27,28,31).
What are the key properties of 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide?
3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide has a molecular weight of 445.47 g/mol, XLogP of 2.58, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N,N-bis(prop-2-enyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 10095035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).