N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C18H20FN5O — CID 142372106

IUPACN-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1nn(C)cc1N/C=C\C(N)=N\C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H20FN5O/c1-12-15(11-24(2)23-12)21-10-7-16(20)22-17(25)18(8-9-18)13-5-3-4-6-14(13)19/h3-7,10-11,21H,8-9H2,1-2H3,(H2,20,22,25)/b10-7-
InChIKeyQNDZWFHRSRLIKZ-YFHOEESVSA-N
MW341.39 g/mol
LogP2.41
Rot. Bonds5

About N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 142372106) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID142372106
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1nn(C)cc1N/C=C\C(N)=N\C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H20FN5O/c1-12-15(11-24(2)23-12)21-10-7-16(20)22-17(25)18(8-9-18)13-5-3-4-6-14(13)19/h3-7,10-11,21H,8-9H2,1-2H3,(H2,20,22,25)/b10-7-
InChIKeyQNDZWFHRSRLIKZ-YFHOEESVSA-N
XLogP2.41
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-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 N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 142372106) is N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is Cc1nn(C)cc1N/C=C\C(N)=N\C(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is QNDZWFHRSRLIKZ-YFHOEESVSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12-15(11-24(2)23-12)21-10-7-16(20)22-17(25)18(8-9-18)13-5-3-4-6-14(13)19/h3-7,10-11,21H,8-9H2,1-2H3,(H2,20,22,25)/b10-7-.
What are the key properties of N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 142372106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).