(2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide

C11H10ClFN4OS — CID 124845774

IUPAC(2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide
SMILESC[C@@H](C(=O)N/N=C\c1ccc(F)s1)n1cc(Cl)cn1
InChIInChI=1S/C11H10ClFN4OS/c1-7(17-6-8(12)4-15-17)11(18)16-14-5-9-2-3-10(13)19-9/h2-7H,1H3,(H,16,18)/b14-5-/t7-/m0/s1
InChIKeyHSTCQPIZRMOFFS-PYMFEVINSA-N
MW300.75 g/mol
LogP2.45
Rot. Bonds4

About (2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide

(2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide (PubChem CID 124845774) has the molecular formula C11H10ClFN4OS and a molecular weight of 300.75 g/mol. Its IUPAC name is (2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide
PubChem CID124845774
Molecular FormulaC11H10ClFN4OS
Molecular Weight300.75 g/mol
Exact Mass300.02
IUPAC Name(2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide
SMILESC[C@@H](C(=O)N/N=C\c1ccc(F)s1)n1cc(Cl)cn1
InChIInChI=1S/C11H10ClFN4OS/c1-7(17-6-8(12)4-15-17)11(18)16-14-5-9-2-3-10(13)19-9/h2-7H,1H3,(H,16,18)/b14-5-/t7-/m0/s1
InChIKeyHSTCQPIZRMOFFS-PYMFEVINSA-N
XLogP2.45
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide
CID 124854862
4-[(4-chloropyrazol-1-yl)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]benzamide
CID 171130855
4-[(4-chloropyrazol-1-yl)methyl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide
CID 124849210
N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide
CID 171130709
N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909721
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
2-(4-chloropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19538486
3-(4-chloropyrazol-1-yl)butan-2-one
CID 61036179
N-(2-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909999
4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide
CID 124854267
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
(2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide
CID 1229715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide (CID 124845774) is (2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide is C[C@@H](C(=O)N/N=C\c1ccc(F)s1)n1cc(Cl)cn1.
What is the InChIKey of (2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide?
The InChIKey is HSTCQPIZRMOFFS-PYMFEVINSA-N. The full InChI is InChI=1S/C11H10ClFN4OS/c1-7(17-6-8(12)4-15-17)11(18)16-14-5-9-2-3-10(13)19-9/h2-7H,1H3,(H,16,18)/b14-5-/t7-/m0/s1.
What are the key properties of (2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide?
(2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide has a molecular weight of 300.75 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloropyrazol-1-yl)-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]propanamide is sourced from PubChem (CID 124845774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).